![6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/845/845630-07-1.png)
6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 845630-07-1) is a chemical compound with molecular formula C25H32N2O5S2 and molecular weight 504.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-2-[(3-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-(tert-butyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(3-methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-2-[(3-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C25H32N2O5S2 |
|---|---|
| Molecular Weight | 504.18 g/mol |
| LogP | 4.0769 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.17526 |
| Heavy Atoms | 34 |
| Complexity | 1210.3796 |
Chemical Identifiers
| CAS Number | 845630-07-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C4=CC(=CC=C4)OC |
Product Overview
6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 845630-07-1), with molecular formula C25H32N2O5S2 and molecular weight 504.18 g/mol. IUPAC: 6-tert-butyl-N-(1,1-dioxothiolan-3-yl)-2-[(3-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 4.0769 indicates that 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-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 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 845630-07-1.
What is the molecular formula of 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C25H32N2O5S2.
What is the molecular weight of 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 504.18 g/mol.
Where can I buy 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-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 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.