4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide

C20H22N2O4S — CID 71838509

IUPAC4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCN(c3cc(C)cc(C)c3)C2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-10-14(2)12-17(11-13)22-9-8-19(20(22)24)21-27(25,26)18-6-4-16(5-7-18)15(3)23/h4-7,10-12,19,21H,8-9H2,1-3H3
InChIKeyDFTDGJAUXUAWND-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.59
Rot. Bonds5

About 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide

4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 71838509) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID71838509
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCN(c3cc(C)cc(C)c3)C2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-10-14(2)12-17(11-13)22-9-8-19(20(22)24)21-27(25,26)18-6-4-16(5-7-18)15(3)23/h4-7,10-12,19,21H,8-9H2,1-3H3
InChIKeyDFTDGJAUXUAWND-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide
CID 71838507
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 71838519
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014861
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 95101521
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838498
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
4-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106256335
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 107579742
4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399781

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide (CID 71838509) is 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CCN(c3cc(C)cc(C)c3)C2=O)cc1.
What is the InChIKey of 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is DFTDGJAUXUAWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-10-14(2)12-17(11-13)22-9-8-19(20(22)24)21-27(25,26)18-6-4-16(5-7-18)15(3)23/h4-7,10-12,19,21H,8-9H2,1-3H3.
What are the key properties of 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 71838509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).