N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C13H17N3O4S — CID 78982712

IUPACN-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C2CNC(=O)C2)c1
InChIInChI=1S/C13H17N3O4S/c1-8-3-4-10(21(19,20)14-2)6-11(8)16-13(18)9-5-12(17)15-7-9/h3-4,6,9,14H,5,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHACZYMVPSOPZHN-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.02
Rot. Bonds4

About N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982712) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982712
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C2CNC(=O)C2)c1
InChIInChI=1S/C13H17N3O4S/c1-8-3-4-10(21(19,20)14-2)6-11(8)16-13(18)9-5-12(17)15-7-9/h3-4,6,9,14H,5,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHACZYMVPSOPZHN-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-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
CID 76873147
N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
CID 76891188
N-[2-methyl-5-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982103
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79378122
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791
N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983436
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78982712) is N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CNC(=O)C2)c1.
What is the InChIKey of N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HACZYMVPSOPZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-8-3-4-10(21(19,20)14-2)6-11(8)16-13(18)9-5-12(17)15-7-9/h3-4,6,9,14H,5,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide 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 N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).