![N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide structure](/static/products/650/650585-57-2.png)
N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide
TL;DR: N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide (CAS 650585-57-2) is a chemical compound with molecular formula C18H18FN3O3S2 and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Also Known As: N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide, (2E)-N-{[4-(dimethylsulfamoyl)phenyl]carbamothioyl}-3-(4-fluorophenyl)prop-2-enamide, (E)-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
| Molecular Formula | C18H18FN3O3S2 |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 2.6024 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.07736 |
| Heavy Atoms | 27 |
| Complexity | 954.3513 |
Chemical Identifiers
| CAS Number | 650585-57-2 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F |
Product Overview
N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide (CAS 650585-57-2), with molecular formula C18H18FN3O3S2 and molecular weight 407.08 g/mol. IUPAC: (E)-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide
Property Insights of N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide
The XLogP value of 2.6024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide. Following Lipinski's Rule of Five, N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide has 2 hydrogen bond donor(s) and 4 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-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide?
The CAS number of N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide is 650585-57-2.
What is the molecular formula of N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide?
The molecular formula of N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide is C18H18FN3O3S2.
What is the molecular weight of N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide?
The molecular weight of N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide is 407.08 g/mol.
Where can I buy N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide?
You can request a quote for N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-(4-fluorophenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.