2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C23H28N2O4S — CID 50928597

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCCC2=CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H28N2O4S/c1-17-15-18(2)25(16-21(26)24-14-13-19-9-5-3-6-10-19)23(27)22(17)30(28,29)20-11-7-4-8-12-20/h4,7-9,11-12,15H,3,5-6,10,13-14,16H2,1-2H3,(H,24,26)
InChIKeyHMOAESFDJSIKNW-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.30
Rot. Bonds7

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 50928597) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID50928597
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCCC2=CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H28N2O4S/c1-17-15-18(2)25(16-21(26)24-14-13-19-9-5-3-6-10-19)23(27)22(17)30(28,29)20-11-7-4-8-12-20/h4,7-9,11-12,15H,3,5-6,10,13-14,16H2,1-2H3,(H,24,26)
InChIKeyHMOAESFDJSIKNW-UHFFFAOYSA-N
XLogP3.30
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzenesulfonyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72046963
3-(dimethylamino)-6-phenethyl-4-phenylsulfanyl-1H-pyridin-2-one
CID 118723635
2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
CID 91903351
"N-[6-methyl-2-oxo-1-(2-oxo-2-piperidinoethyl)-1,2-dihydro-3-pyridinyl]-1-benzenesulfonamide"
CID 53161453
2-[4,6-dimethyl-3-(4-methylbenzenesulfonyl)-2-oxo-1,2-dihydropyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 27509014
N-[(Z)-3-(2-fluorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637772
N-[(E)-3-(2-fluorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637779
N-[(Z)-3-(benzenesulfonyl)-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637882
N-[(E)-3-(benzenesulfonyl)-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637909
2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]-N-(4-fluorobenzyl)acetamide
CID 50928616
2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]-N-(2-fluorobenzyl)acetamide
CID 51369905
N-[3-(benzenesulfonyl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 56143058

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 50928597) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is Cc1cc(C)n(CC(=O)NCCC2=CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is HMOAESFDJSIKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-17-15-18(2)25(16-21(26)24-14-13-19-9-5-3-6-10-19)23(27)22(17)30(28,29)20-11-7-4-8-12-20/h4,7-9,11-12,15H,3,5-6,10,13-14,16H2,1-2H3,(H,24,26).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 428.55 g/mol, XLogP of 3.30, 7 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-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 50928597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).