![N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide structure](/static/products/791/791793-90-3.png)
N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide
TL;DR: N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide (CAS 791793-90-3) is a chemical compound with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
Also Known As: AN-329/42613553, N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide, N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide, N-{[(4-{[benzyl(methyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-2-methylpropanamide, N-({4-[benzyl(methyl)sulfamoyl]phenyl}carbamothioyl)-2-methylpropanamide
| Molecular Formula | C19H23N3O3S2 |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 2.9763 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.11807 |
| Heavy Atoms | 27 |
| Complexity | 895.55695 |
Chemical Identifiers
| CAS Number | 791793-90-3 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2 |
Product Overview
N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide (CAS 791793-90-3), with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol. IUPAC: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide
Property Insights of N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide
The XLogP value of 2.9763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide 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-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide?
The CAS number of N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide is 791793-90-3.
What is the molecular formula of N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide?
The molecular formula of N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide is C19H23N3O3S2.
What is the molecular weight of N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide?
The molecular weight of N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide is 405.12 g/mol.
Where can I buy N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide?
You can request a quote for N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.