3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide

C13H17N3O4S — CID 136521548

IUPAC3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CNC(=O)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H17N3O4S/c1-8-3-4-9(5-11(8)16-21(2,19)20)13(18)15-10-6-12(17)14-7-10/h3-5,10,16H,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyJUHRKVJLXZCZGV-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.02
Rot. Bonds4

About 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide

3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 136521548) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID136521548
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CNC(=O)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H17N3O4S/c1-8-3-4-9(5-11(8)16-21(2,19)20)13(18)15-10-6-12(17)14-7-10/h3-5,10,16H,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyJUHRKVJLXZCZGV-UHFFFAOYSA-N
XLogP-0.02
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide
CID 106197813
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
CID 68792799
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 56765647
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide (CID 136521548) is 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CNC(=O)C2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is JUHRKVJLXZCZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-8-3-4-9(5-11(8)16-21(2,19)20)13(18)15-10-6-12(17)14-7-10/h3-5,10,16H,6-7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide?
3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 311.36 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 136521548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).