N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide

C20H20N4O3S — CID 47026452

IUPACN-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O3S/c25-20(19-14-21-24(23-19)16-8-2-1-3-9-16)22-15-7-6-12-18(13-15)28(26,27)17-10-4-5-11-17/h1-3,6-9,12-14,17H,4-5,10-11H2,(H,22,25)
InChIKeyINGLYPWKNPAEEL-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.24
Rot. Bonds5

About N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide

N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide (PubChem CID 47026452) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
PubChem CID47026452
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O3S/c25-20(19-14-21-24(23-19)16-8-2-1-3-9-16)22-15-7-6-12-18(13-15)28(26,27)17-10-4-5-11-17/h1-3,6-9,12-14,17H,4-5,10-11H2,(H,22,25)
InChIKeyINGLYPWKNPAEEL-UHFFFAOYSA-N
XLogP3.24
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 86807567
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
CID 46416423
1-[(2-chlorophenyl)methyl]-N-(3-cyclopentylsulfonylphenyl)pyrazole-4-carboxamide
CID 55612679
N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 46421897
N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 51255621
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
CID 86815081
N-(3-cyclopentylsulfonylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 39209393
N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 110702383
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39207980

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide (CID 47026452) is N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is INGLYPWKNPAEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(19-14-21-24(23-19)16-8-2-1-3-9-16)22-15-7-6-12-18(13-15)28(26,27)17-10-4-5-11-17/h1-3,6-9,12-14,17H,4-5,10-11H2,(H,22,25).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide?
N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 47026452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).