2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C24H24N6O4S — CID 10141313

IUPAC2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1-n1cncn1
InChIInChI=1S/C24H24N6O4S/c1-18-11-12-21(28-35(33,34)15-19-7-3-2-4-8-19)24(32)29(18)14-23(31)26-13-20-9-5-6-10-22(20)30-17-25-16-27-30/h2-12,16-17,28H,13-15H2,1H3,(H,26,31)
InChIKeyQTERKUXJFMBNQA-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.00
Rot. Bonds9

About 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 10141313) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID10141313
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1-n1cncn1
InChIInChI=1S/C24H24N6O4S/c1-18-11-12-21(28-35(33,34)15-19-7-3-2-4-8-19)24(32)29(18)14-23(31)26-13-20-9-5-6-10-22(20)30-17-25-16-27-30/h2-12,16-17,28H,13-15H2,1H3,(H,26,31)
InChIKeyQTERKUXJFMBNQA-UHFFFAOYSA-N
XLogP2.00
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-Chloro-2-tetrazol-1-yl-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10165288
N-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10230057
2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(2-tetrazol-1-yl-benzyl)-acetamide
CID 10117424
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2463229
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2438314
N-[[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]sulfamoyl]phenyl]methyl]acetamide
CID 45845441
2-(2-methyl-N-methylsulfonylanilino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16261762
N-(2-fluorobenzyl)-2-{[2-(1H-1,2,4-triazol-1-yl)benzyl]amino}acetamide
CID 50962609
N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4,8,8-trioxo-6,7-dihydropyrimido[2,1-c][1,4]thiazine-2-carboxamide
CID 54683241
N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 77106075
N-[1-[[1-(butylsulfonylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-N,3,5-trimethylbenzamide
CID 44214006
N-(4-fluorophenyl)-2-[methyl-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 7257745

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 10141313) is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1-n1cncn1.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is QTERKUXJFMBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-18-11-12-21(28-35(33,34)15-19-7-3-2-4-8-19)24(32)29(18)14-23(31)26-13-20-9-5-6-10-22(20)30-17-25-16-27-30/h2-12,16-17,28H,13-15H2,1H3,(H,26,31).
What are the key properties of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 492.56 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10141313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).