![2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/797/797769-52-9.png)
2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 797769-52-9) is a chemical compound with molecular formula C26H32N2O4S2 and molecular weight 500.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, (E)-2-(3-(4-(tert-butyl)phenyl)acrylamido)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(2E)-3-(4-tert-butylphenyl)-2-propenoyl]amino}-N-(1,1-dioxidotetrahydro-3-thienyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C26H32N2O4S2 |
|---|---|
| Molecular Weight | 500.18 g/mol |
| LogP | 4.4932 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.18036 |
| Heavy Atoms | 34 |
| Complexity | 1218.7273 |
Chemical Identifiers
| CAS Number | 797769-52-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 797769-52-9), with molecular formula C26H32N2O4S2 and molecular weight 500.18 g/mol. IUPAC: 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 4.4932 indicates that 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 797769-52-9.
What is the molecular formula of 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C26H32N2O4S2.
What is the molecular weight of 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 500.18 g/mol.
Where can I buy 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.