2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide

C22H24N2O4S — CID 92884774

IUPAC2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2cc(C)ccc21
InChIInChI=1S/C22H24N2O4S/c1-4-16(3)23-21(25)14-24-19-11-10-15(2)12-17(19)13-20(22(24)26)29(27,28)18-8-6-5-7-9-18/h5-13,16H,4,14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyZMHHOPDFPTZCCG-MRXNPFEDSA-N
MW412.51 g/mol
LogP3.06
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide

2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide (PubChem CID 92884774) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide
PubChem CID92884774
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2cc(C)ccc21
InChIInChI=1S/C22H24N2O4S/c1-4-16(3)23-21(25)14-24-19-11-10-15(2)12-17(19)13-20(22(24)26)29(27,28)18-8-6-5-7-9-18/h5-13,16H,4,14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyZMHHOPDFPTZCCG-MRXNPFEDSA-N
XLogP3.06
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
N-butan-2-yl-2-[3-[(2-chlorophenyl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
CID 53022793
N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110430021
(2S,3S)-3-methyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]pentanoic acid
CID 119194405
2-(3-methyl-2-oxoquinolin-1-yl)-N-(1-phenylethyl)acetamide
CID 110680331
2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide
CID 71956412
N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide
CID 7296813
N-butan-2-yl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958381
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide (CID 92884774) is 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide is CC[C@@H](C)NC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2cc(C)ccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The InChIKey is ZMHHOPDFPTZCCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-4-16(3)23-21(25)14-24-19-11-10-15(2)12-17(19)13-20(22(24)26)29(27,28)18-8-6-5-7-9-18/h5-13,16H,4,14H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide?
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide has a molecular weight of 412.51 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-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide is sourced from PubChem (CID 92884774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).