![N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide structure](/static/products/896/896364-79-7.png)
N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide
TL;DR: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide (CAS 896364-79-7) is a chemical compound with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylsulfonylbenzamide
Also Known As: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide, F2556-0100, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylsulfonylbenzamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(methylsulfonyl)benzamide
| Molecular Formula | C18H18N2O3S2 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.54448 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.0759 |
| Heavy Atoms | 25 |
| Complexity | 968.69275 |
Chemical Identifiers
| CAS Number | 896364-79-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide (CAS 896364-79-7), with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylsulfonylbenzamide.
Chemical Property Profile of N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide
Property Insights of N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide
The XLogP value of 3.54448 indicates that N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide 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-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide. Following Lipinski's Rule of Five, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide 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-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide?
The CAS number of N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide is 896364-79-7.
What is the molecular formula of N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide?
The molecular formula of N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide is C18H18N2O3S2.
What is the molecular weight of N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide?
The molecular weight of N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide is 374.08 g/mol.
Where can I buy N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide?
You can request a quote for N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide 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-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-methanesulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.