2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide

C20H23ClN2O4S — CID 53004532

IUPAC2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCC2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-13-11-14(2)23(12-18(24)22-16-5-3-4-6-16)20(25)19(13)28(26,27)17-9-7-15(21)8-10-17/h7-11,16H,3-6,12H2,1-2H3,(H,22,24)
InChIKeyFVAGYEVONYBHDR-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.01
Rot. Bonds5

About 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide

2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide (PubChem CID 53004532) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
PubChem CID53004532
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCC2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-13-11-14(2)23(12-18(24)22-16-5-3-4-6-16)20(25)19(13)28(26,27)17-9-7-15(21)8-10-17/h7-11,16H,3-6,12H2,1-2H3,(H,22,24)
InChIKeyFVAGYEVONYBHDR-UHFFFAOYSA-N
XLogP3.01
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)sulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropanecarboxamide
CID 22429149
4-(3-((4-Chlorophenyl)sulfonyl)propanoyl)-3,3-dimethylpiperazin-2-one
CID 16863857
2-[3-(4-Chlorobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 53054703
3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 55794504
2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide
CID 53328383
6-[2-(4-chlorophenyl)sulfonylethyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
CID 157701286
N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637870
N-[(E)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637871
3-(4-chlorophenyl)sulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 8243620
2-[[2-(4-chlorophenyl)sulfanylacetyl]-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8435704
2-[[2-(4-chlorophenyl)sulfanylacetyl]-ethylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 8435705
(2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide
CID 8733253

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide (CID 53004532) is 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide is Cc1cc(C)n(CC(=O)NC2CCCC2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The InChIKey is FVAGYEVONYBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-13-11-14(2)23(12-18(24)22-16-5-3-4-6-16)20(25)19(13)28(26,27)17-9-7-15(21)8-10-17/h7-11,16H,3-6,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide?
2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide has a molecular weight of 422.93 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide is sourced from PubChem (CID 53004532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).