![N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide structure](/static/products/860/860649-76-9.png)
N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide
TL;DR: N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide (CAS 860649-76-9) is a chemical compound with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-2,2-dimethylpropanamide
Also Known As: N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide, N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenylthiophen-3-yl}-2,2-dimethylpropanamide, N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-2,2-dimethylpropanamide, N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenyl-3-thienyl]-2,2-dimethyl-propanamide, C18H17N3OS2
| Molecular Formula | C18H17N3OS2 |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 4.88706 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.0813 |
| Heavy Atoms | 24 |
| Complexity | 820.9195 |
Chemical Identifiers
| CAS Number | 860649-76-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=C(SC(=C1C2=CC=CC=C2)SCC#N)C#N |
Product Overview
N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide (CAS 860649-76-9), with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol. IUPAC: N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-2,2-dimethylpropanamide.
Chemical Property Profile of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide
Property Insights of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide
The XLogP value of 4.88706 indicates that N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide. Following Lipinski's Rule of Five, N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide 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-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide?
The CAS number of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide is 860649-76-9.
What is the molecular formula of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide?
The molecular formula of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide is C18H17N3OS2.
What is the molecular weight of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide?
The molecular weight of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide is 355.08 g/mol.
Where can I buy N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide?
You can request a quote for N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.