![4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide structure](/static/products/3938/393875-14-4.webp)
4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
TL;DR: 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 393875-14-4) is a chemical compound with molecular formula C27H28N6O4S2 and molecular weight 564.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylsulfamoyl)-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-(dimethylsulfamoyl)-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide, 4-(N,N-dimethylsulfamoyl)-N-((5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-(dimethylsulfamoyl)-N-{[5-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C27H28N6O4S2 |
|---|---|
| Molecular Weight | 564.16 g/mol |
| LogP | 3.48682 |
| Topological Polar Surface Area | 126.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.1613 |
| Heavy Atoms | 39 |
| Complexity | 1569.5824 |
Chemical Identifiers
| CAS Number | 393875-14-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 393875-14-4), with molecular formula C27H28N6O4S2 and molecular weight 564.16 g/mol. IUPAC: 4-(dimethylsulfamoyl)-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Property Insights of 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
The XLogP value of 3.48682 indicates that 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide. Following Lipinski's Rule of Five, 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The CAS number of 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide is 393875-14-4.
What is the molecular formula of 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular formula of 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide is C27H28N6O4S2.
What is the molecular weight of 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular weight of 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide is 564.16 g/mol.
Where can I buy 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
You can request a quote for 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.