N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C24H22N4O3S — CID 55433250

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H22N4O3S/c1-17(18-13-15-21(16-14-18)32(2,30)31)25-24(29)22-26-23(19-9-5-3-6-10-19)28(27-22)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,25,29)
InChIKeyLHXFZTWCONJGNH-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.83
Rot. Bonds6

About N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 55433250) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID55433250
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H22N4O3S/c1-17(18-13-15-21(16-14-18)32(2,30)31)25-24(29)22-26-23(19-9-5-3-6-10-19)28(27-22)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,25,29)
InChIKeyLHXFZTWCONJGNH-UHFFFAOYSA-N
XLogP3.83
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 47798363
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 71240288
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71268833
1-(4-chlorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55825497
3,4,5,6-tetrachloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 26468278
N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112771643
1-(4-fluorophenyl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55433332
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 55433250) is N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CC(NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LHXFZTWCONJGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-17(18-13-15-21(16-14-18)32(2,30)31)25-24(29)22-26-23(19-9-5-3-6-10-19)28(27-22)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,25,29).
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55433250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).