![N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/797/797799-32-7.png)
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 797799-32-7) is a chemical compound with molecular formula C27H36N2O5S2 and molecular weight 532.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-2-[(4-heptoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-(heptyloxy)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, N-(1,1-dioxothiolan-3-yl)-2-[(4-heptoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C27H36N2O5S2 |
|---|---|
| Molecular Weight | 532.21 g/mol |
| LogP | 5.1453 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 532.20654 |
| Heavy Atoms | 36 |
| Complexity | 1171.5161 |
Chemical Identifiers
| CAS Number | 797799-32-7 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 797799-32-7), with molecular formula C27H36N2O5S2 and molecular weight 532.21 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-2-[(4-heptoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 5.1453 indicates that N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]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 N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]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 N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 797799-32-7.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C27H36N2O5S2.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 532.21 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]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 N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-({[4-(heptyloxy)phenyl]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.