N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

C23H26N4O3S — CID 46547800

IUPACN-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)C4CCCC4)cc3)n2)c(C)c1
InChIInChI=1S/C23H26N4O3S/c1-15-8-13-21(16(2)14-15)27-25-17(3)22(26-27)23(28)24-18-9-11-20(12-10-18)31(29,30)19-6-4-5-7-19/h8-14,19H,4-7H2,1-3H3,(H,24,28)
InChIKeyYKENAKKSEKGBNZ-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.16
Rot. Bonds5

About N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 46547800) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID46547800
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)C4CCCC4)cc3)n2)c(C)c1
InChIInChI=1S/C23H26N4O3S/c1-15-8-13-21(16(2)14-15)27-25-17(3)22(26-27)23(28)24-18-9-11-20(12-10-18)31(29,30)19-6-4-5-7-19/h8-14,19H,4-7H2,1-3H3,(H,24,28)
InChIKeyYKENAKKSEKGBNZ-UHFFFAOYSA-N
XLogP4.16
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46553835
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 46806969
N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8569599
2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
CID 30183644
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 42058107
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
CID 38313943
2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide
CID 52610608
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]-2-methylbenzoate
CID 43055005
2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide
CID 34870555
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 36847924
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 30847412
(2-anilino-2-oxoethyl) 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981429

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 46547800) is N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)C4CCCC4)cc3)n2)c(C)c1.
What is the InChIKey of N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is YKENAKKSEKGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-8-13-21(16(2)14-15)27-25-17(3)22(26-27)23(28)24-18-9-11-20(12-10-18)31(29,30)19-6-4-5-7-19/h8-14,19H,4-7H2,1-3H3,(H,24,28).
What are the key properties of N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46547800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).