2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C22H19F3N2O4S — CID 42585736

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O4S/c1-14-12-15(2)27(21(29)20(14)32(30,31)16-8-4-3-5-9-16)13-19(28)26-18-11-7-6-10-17(18)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyPYFMJWJAHSNKAT-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.96
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 42585736) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID42585736
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O4S/c1-14-12-15(2)27(21(29)20(14)32(30,31)16-8-4-3-5-9-16)13-19(28)26-18-11-7-6-10-17(18)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyPYFMJWJAHSNKAT-UHFFFAOYSA-N
XLogP3.96
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10416037
2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9830006
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3244408
6-methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 11619625
N-[4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953867
N-Ethyl-2-[(4-methylsulfanyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 653351
2-{(2-ethylphenyl)[(4-methylphenyl)sulfonyl]amino}-N-benzylacetamide
CID 1000070
1-{N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycyl}-4-piperidinecarboxamide
CID 1076413
N~2~-benzyl-N~2~-(methylsulfonyl)-N~1~-[2-(methylthio)phenyl]glycinamide
CID 2202721
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2442131
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 2543092

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 42585736) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PYFMJWJAHSNKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-14-12-15(2)27(21(29)20(14)32(30,31)16-8-4-3-5-9-16)13-19(28)26-18-11-7-6-10-17(18)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 464.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 42585736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).