N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide

C20H22N2O4S — CID 110618410

IUPACN-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C20H22N2O4S/c1-14-6-7-16(15(2)23)13-19(14)21-27(25,26)18-10-8-17(9-11-18)22-12-4-3-5-20(22)24/h6-11,13,21H,3-5,12H2,1-2H3
InChIKeySJRIQUBHQDONHV-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.52
Rot. Bonds5

About N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide

N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide (PubChem CID 110618410) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
PubChem CID110618410
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C20H22N2O4S/c1-14-6-7-16(15(2)23)13-19(14)21-27(25,26)18-10-8-17(9-11-18)22-12-4-3-5-20(22)24/h6-11,13,21H,3-5,12H2,1-2H3
InChIKeySJRIQUBHQDONHV-UHFFFAOYSA-N
XLogP3.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92685963
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387
N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30379951
2-acetyl-N-(5-acetyl-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110618453
2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
CID 8822934
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28635843
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide (CID 110618410) is N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide is CC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The InChIKey is SJRIQUBHQDONHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-6-7-16(15(2)23)13-19(14)21-27(25,26)18-10-8-17(9-11-18)22-12-4-3-5-20(22)24/h6-11,13,21H,3-5,12H2,1-2H3.
What are the key properties of N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110618410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).