![3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide structure](/static/products/791/791791-95-2.png)
3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide
TL;DR: 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide (CAS 791791-95-2) is a chemical compound with molecular formula C18H21N3O3S2 and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide
Also Known As: AN-329/42607796, 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide, 3-methyl-N-{[4-(phenylsulfamoyl)phenyl]carbamothioyl}butanamide, N-({[4-(anilinosulfonyl)phenyl]amino}carbonothioyl)-3-methylbutanamide, 4-({[(3-methylbutanoyl)amino]carbothioyl}amino)-N-phenylbenzenesulfonamide
| Molecular Formula | C18H21N3O3S2 |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.3465 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.10245 |
| Heavy Atoms | 26 |
| Complexity | 864.31415 |
Chemical Identifiers
| CAS Number | 791791-95-2 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 |
Product Overview
3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide (CAS 791791-95-2), with molecular formula C18H21N3O3S2 and molecular weight 391.10 g/mol. IUPAC: 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide.
Chemical Property Profile of 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide
Property Insights of 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide
The XLogP value of 3.3465 indicates that 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide. Following Lipinski's Rule of Five, 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide has 3 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 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide?
The CAS number of 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide is 791791-95-2.
What is the molecular formula of 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide?
The molecular formula of 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide is C18H21N3O3S2.
What is the molecular weight of 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide?
The molecular weight of 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide is 391.10 g/mol.
Where can I buy 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide?
You can request a quote for 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.