N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide
TL;DR: N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide (CAS 896349-77-2) is a chemical compound with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanothiophen-2-yl)-4-methylsulfonylbenzamide
Also Known As: N-(3-cyano-2-thienyl)p-mesylbenzamide, N-(3-cyanothiophen-2-yl)-4-methanesulfonylbenzamide, N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide, N-(3-cyanothiophen-2-yl)-4-methylsulfonylbenzamide, F2558-0227
| Molecular Formula | C13H10N2O3S2 |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 2.27558 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.01328 |
| Heavy Atoms | 20 |
| Complexity | 783.7689 |
Chemical Identifiers
| CAS Number | 896349-77-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)C#N |
Product Overview
N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide (CAS 896349-77-2), with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol. IUPAC: N-(3-cyanothiophen-2-yl)-4-methylsulfonylbenzamide.
Chemical Property Profile of N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide
Property Insights of N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide
The XLogP value of 2.27558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide. The TPSA of 87.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide. Following Lipinski's Rule of Five, N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)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 N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide?
The CAS number of N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide is 896349-77-2.
What is the molecular formula of N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide?
The molecular formula of N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide is C13H10N2O3S2.
What is the molecular weight of N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide?
The molecular weight of N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide is 306.01 g/mol.
Where can I buy N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide?
You can request a quote for N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanothiophen-2-yl)-4-(methylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.