2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide

C21H22N2O4S — CID 46394229

IUPAC2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C21H22N2O4S/c1-3-15(2)22-20(24)14-23-18-12-8-7-9-16(18)13-19(21(23)25)28(26,27)17-10-5-4-6-11-17/h4-13,15H,3,14H2,1-2H3,(H,22,24)
InChIKeyNBAZAMRMEWZUQX-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.75
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide

2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide (PubChem CID 46394229) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
PubChem CID46394229
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C21H22N2O4S/c1-3-15(2)22-20(24)14-23-18-12-8-7-9-16(18)13-19(21(23)25)28(26,27)17-10-5-4-6-11-17/h4-13,15H,3,14H2,1-2H3,(H,22,24)
InChIKeyNBAZAMRMEWZUQX-UHFFFAOYSA-N
XLogP2.75
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 92884774
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
2-(3-methyl-2-oxoquinolin-1-yl)-N-(1-phenylethyl)acetamide
CID 110680331
2-(2-phenylindol-1-yl)-N-[1-(4-phenylphenyl)propan-2-yl]acetamide
CID 155968281
2-[3-(benzenesulfonyl)-6-ethyl-2-oxoquinolin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46394256
3-(benzenesulfonyl)-6-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)quinolin-2-one
CID 46394257
(2S,3S)-3-methyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]pentanoic acid
CID 119194405
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide
CID 7296813
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92884777
2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 16935358

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide (CID 46394229) is 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide?
The InChIKey is NBAZAMRMEWZUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-15(2)22-20(24)14-23-18-12-8-7-9-16(18)13-19(21(23)25)28(26,27)17-10-5-4-6-11-17/h4-13,15H,3,14H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide?
2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide has a molecular weight of 398.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 46394229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).