N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide
TL;DR: N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide (CAS 117457-85-9) is a chemical compound with molecular formula C14H12N4O5S and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-acetamidophenyl)carbamothioyl]-5-nitrofuran-2-carboxamide
Also Known As: N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide, N-[(4-acetamidophenyl)carbamothioyl]-5-nitrofuran-2-carboxamide, 2-Furancarboxamide,N-[[[4-(acetylamino)phenyl]amino]thioxomethyl]-5-nitro-, N-[(4-acetamidophenyl)thiocarbamoyl]-5-nitro-furan-2-carboxamide
| Molecular Formula | C14H12N4O5S |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 2.273 |
| Topological Polar Surface Area | 126.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.05283 |
| Heavy Atoms | 24 |
| Complexity | 799.75104 |
Chemical Identifiers
| CAS Number | 117457-85-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide (CAS 117457-85-9), with molecular formula C14H12N4O5S and molecular weight 348.05 g/mol. IUPAC: N-[(4-acetamidophenyl)carbamothioyl]-5-nitrofuran-2-carboxamide.
Chemical Property Profile of N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide
Property Insights of N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide
The XLogP value of 2.273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide. The TPSA of 126.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide. Following Lipinski's Rule of Five, N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide has 3 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 N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide?
The CAS number of N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide is 117457-85-9.
What is the molecular formula of N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide?
The molecular formula of N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide is C14H12N4O5S.
What is the molecular weight of N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide?
The molecular weight of N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide is 348.05 g/mol.
Where can I buy N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide?
You can request a quote for N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-Acetamidophenyl)thiocarbamoyl)-5-nitrofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.