N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide (CAS 896288-82-7) is a chemical compound with molecular formula C17H16N2O3S2 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide
Also Known As: F2557-0093, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(methylsulfonyl)benzamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methanesulfonylbenzamide
| Molecular Formula | C17H16N2O3S2 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 3.15438 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.06024 |
| Heavy Atoms | 24 |
| Complexity | 952.7007 |
Chemical Identifiers
| CAS Number | 896288-82-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide (CAS 896288-82-7), with molecular formula C17H16N2O3S2 and molecular weight 360.06 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide
The XLogP value of 3.15438 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide 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 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide 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 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide is 896288-82-7.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide is C17H16N2O3S2.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide is 360.06 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.