N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C13H16N2O4S — CID 47232606

IUPACN-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C13H16N2O4S/c1-20(18,19)14-13(17)11-6-4-10(5-7-11)9-15-8-2-3-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)
InChIKeyLSMUGAWKLADBSV-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.50
Rot. Bonds4

About N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 47232606) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID47232606
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C13H16N2O4S/c1-20(18,19)14-13(17)11-6-4-10(5-7-11)9-15-8-2-3-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)
InChIKeyLSMUGAWKLADBSV-UHFFFAOYSA-N
XLogP0.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 27708025
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
N-(5-methyl-1H-pyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 71935838
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30755522

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 47232606) is N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CS(=O)(=O)NC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is LSMUGAWKLADBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-20(18,19)14-13(17)11-6-4-10(5-7-11)9-15-8-2-3-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17).
What are the key properties of N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 296.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 47232606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).