N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide
TL;DR: N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide (CAS 425403-62-9) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(4-acetamidophenyl)carbamothioyl]-3-phenylprop-2-enamide
Also Known As: N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide, N-((4-acetamidophenyl)carbamothioyl)cinnamamide, (E)-N-[(4-acetamidophenyl)carbamothioyl]-3-phenylprop-2-enamide, (2E)-N-[(4-Acetamidophenyl)carbamothioyl]-3-phenylprop-2-enamide, (2E)-N-{[4-(acetylamino)phenyl]carbamothioyl}-3-phenylprop-2-enamide
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.1714 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 755.59314 |
Chemical Identifiers
| CAS Number | 425403-62-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide (CAS 425403-62-9), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: (E)-N-[(4-acetamidophenyl)carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide
Property Insights of N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide
The XLogP value of 3.1714 indicates that N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide. Following Lipinski's Rule of Five, N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide has 3 hydrogen bond donor(s) and 3 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-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide?
The CAS number of N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide is 425403-62-9.
What is the molecular formula of N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide?
The molecular formula of N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide is C18H17N3O2S.
What is the molecular weight of N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide?
The molecular weight of N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide is 339.10 g/mol.
Where can I buy N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide?
You can request a quote for N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-3-phenylacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.