4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
TL;DR: 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CAS 5915-45-7) is a chemical compound with molecular formula C22H18N2O3S2 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Also Known As: BIM-0049684.P001, 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-(phenylsulfonyl)benzamide
| Molecular Formula | C22H18N2O3S2 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 4.58368 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0759 |
| Heavy Atoms | 29 |
| Complexity | 1205.4385 |
Chemical Identifiers
| CAS Number | 5915-45-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C#N |
Product Overview
4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CAS 5915-45-7), with molecular formula C22H18N2O3S2 and molecular weight 422.08 g/mol. IUPAC: 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide.
Chemical Property Profile of 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Property Insights of 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
The XLogP value of 4.58368 indicates that 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide. Following Lipinski's Rule of Five, 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The CAS number of 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is 5915-45-7.
What is the molecular formula of 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The molecular formula of 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is C22H18N2O3S2.
What is the molecular weight of 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The molecular weight of 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is 422.08 g/mol.
Where can I buy 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
You can request a quote for 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.