3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one

C24H26N2O4S — CID 46394257

IUPAC3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one
SMILESCCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)N1CCCCC1
InChIInChI=1S/C24H26N2O4S/c1-2-18-11-12-21-19(15-18)16-22(31(29,30)20-9-5-3-6-10-20)24(28)26(21)17-23(27)25-13-7-4-8-14-25/h3,5-6,9-12,15-16H,2,4,7-8,13-14,17H2,1H3
InChIKeyMWFDXJJZIBYGKB-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.41
Rot. Bonds5

About 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one

3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one (PubChem CID 46394257) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one
PubChem CID46394257
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one
SMILESCCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)N1CCCCC1
InChIInChI=1S/C24H26N2O4S/c1-2-18-11-12-21-19(15-18)16-22(31(29,30)20-9-5-3-6-10-20)24(28)26(21)17-23(27)25-13-7-4-8-14-25/h3,5-6,9-12,15-16H,2,4,7-8,13-14,17H2,1H3
InChIKeyMWFDXJJZIBYGKB-UHFFFAOYSA-N
XLogP3.41
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46394256
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 92884774
2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
CID 46394229
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92884777
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethylphenyl)-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974137
1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione
CID 46357345
3-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-1-methyl-2,4-dioxo-N-phenylquinazoline-6-sulfonamide
CID 20974135
(4S)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115887
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
2-[4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 57430490
3-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butyl-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974128

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one (CID 46394257) is 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one is CCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)N1CCCCC1.
What is the InChIKey of 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one?
The InChIKey is MWFDXJJZIBYGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-2-18-11-12-21-19(15-18)16-22(31(29,30)20-9-5-3-6-10-20)24(28)26(21)17-23(27)25-13-7-4-8-14-25/h3,5-6,9-12,15-16H,2,4,7-8,13-14,17H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one?
3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one has a molecular weight of 438.55 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one is sourced from PubChem (CID 46394257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).