![N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide structure](/static/products/791/791794-36-0.png)
N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide
TL;DR: N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide (CAS 791794-36-0) is a chemical compound with molecular formula C13H17N3O4S2 and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-methylpropanamide
Also Known As: AN-329/42613601, N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide, N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-methylpropanamide, N-[({4-[(acetylamino)sulfonyl]phenyl}amino)carbonothioyl]-2-methylpropanamide, N-{[4-(acetylsulfamoyl)phenyl]carbamothioyl}-2-methylpropanamide
| Molecular Formula | C13H17N3O4S2 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 0.9804 |
| Topological Polar Surface Area | 104.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.06604 |
| Heavy Atoms | 22 |
| Complexity | 681.7417 |
Chemical Identifiers
| CAS Number | 791794-36-0 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C |
Product Overview
N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide (CAS 791794-36-0), with molecular formula C13H17N3O4S2 and molecular weight 343.07 g/mol. IUPAC: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide
Property Insights of N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide
The XLogP value of 0.9804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide. The TPSA of 104.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide. Following Lipinski's Rule of Five, N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide has 3 hydrogen bond donor(s) and 5 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-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide?
The CAS number of N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide is 791794-36-0.
What is the molecular formula of N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide?
The molecular formula of N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide is C13H17N3O4S2.
What is the molecular weight of N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide?
The molecular weight of N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide is 343.07 g/mol.
Where can I buy N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide?
You can request a quote for N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.