2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide

C23H23FN2O4S — CID 27509014

IUPAC2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C23H23FN2O4S/c1-15-4-10-20(11-5-15)31(29,30)22-16(2)12-17(3)26(23(22)28)14-21(27)25-13-18-6-8-19(24)9-7-18/h4-12H,13-14H2,1-3H3,(H,25,27)
InChIKeyNOMXFCVTDCRLDU-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.06
Rot. Bonds6

About 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 27509014) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID27509014
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C23H23FN2O4S/c1-15-4-10-20(11-5-15)31(29,30)22-16(2)12-17(3)26(23(22)28)14-21(27)25-13-18-6-8-19(24)9-7-18/h4-12H,13-14H2,1-3H3,(H,25,27)
InChIKeyNOMXFCVTDCRLDU-UHFFFAOYSA-N
XLogP3.06
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2301453
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N~2~-(2-fluorobenzyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~1~-propylglycinamide
CID 2188946
N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2526390
N~1~-[2-(cyclohexylthio)ethyl]-N~2~-(2-fluorophenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 2929553
N-(1-Benzyl-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl)-4-methyl-benzenesulfonamide
CID 3231708
N-[1-(4-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-4-methyl-benzenesulfonamide
CID 3231716
N-benzyl-N'-(2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethyl)ethanediamide
CID 3356142
3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 3476149
2-(3-Benzenesulfonylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10437166
2-[1-(4-fluorophenyl)ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 16283729
N-Benzyl-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44344067

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 27509014) is 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NOMXFCVTDCRLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-15-4-10-20(11-5-15)31(29,30)22-16(2)12-17(3)26(23(22)28)14-21(27)25-13-18-6-8-19(24)9-7-18/h4-12H,13-14H2,1-3H3,(H,25,27).
What are the key properties of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 442.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 27509014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).