N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide (CAS 896306-36-8) is a chemical compound with molecular formula C16H16N2O3S2 and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)sulfonylacetamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide, F2590-0117, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methylbenzenesulfonyl)acetamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)sulfonylacetamide
| Molecular Formula | C16H16N2O3S2 |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 2.95744 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.06024 |
| Heavy Atoms | 23 |
| Complexity | 888.64197 |
Chemical Identifiers
| CAS Number | 896306-36-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C(=C(S2)C)C)C#N |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide (CAS 896306-36-8), with molecular formula C16H16N2O3S2 and molecular weight 348.06 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)sulfonylacetamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide
The XLogP value of 2.95744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide. The TPSA of 87.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide 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-dimethylthiophen-2-yl)-2-tosylacetamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide is 896306-36-8.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide is C16H16N2O3S2.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide is 348.06 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide 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-dimethylthiophen-2-yl)-2-tosylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-tosylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.