4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide
TL;DR: 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide (CAS 445004-34-2) is a chemical compound with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N,N,3-trimethyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxamide
Also Known As: 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide, 4-cyano-N,N,3-trimethyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxamide, {4-cyano-3-methyl-5-[(3-nitrophenyl)carbonylamino](2-thienyl)}-N,N-dimethylcar boxamide, 4-cyano-N,N,3-trimethyl-5-{[(3-nitrophenyl)carbonyl]amino}thiophene-2-carboxamide
| Molecular Formula | C16H14N4O4S |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.7905 |
| Topological Polar Surface Area | 116.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07358 |
| Heavy Atoms | 25 |
| Complexity | 911.34393 |
Chemical Identifiers
| CAS Number | 445004-34-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)C |
Product Overview
4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide (CAS 445004-34-2), with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol. IUPAC: 4-cyano-N,N,3-trimethyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxamide.
Chemical Property Profile of 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide
Property Insights of 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide
The XLogP value of 2.7905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide. The TPSA of 116.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide. Following Lipinski's Rule of Five, 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide has 1 hydrogen bond donor(s) and 6 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 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide?
The CAS number of 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide is 445004-34-2.
What is the molecular formula of 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide?
The molecular formula of 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide is C16H14N4O4S.
What is the molecular weight of 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide?
The molecular weight of 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide is 358.07 g/mol.
Where can I buy 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide?
You can request a quote for 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-5-({3-nitrobenzoyl}amino)-N,N,3-trimethylthiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.