N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide

C12H15N3O4S — CID 78983436

IUPACN-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CNC(=O)C2)cc1S(N)(=O)=O
InChIInChI=1S/C12H15N3O4S/c1-7-2-3-9(5-10(7)20(13,18)19)15-12(17)8-4-11(16)14-6-8/h2-3,5,8H,4,6H2,1H3,(H,14,16)(H,15,17)(H2,13,18,19)
InChIKeyCJCSHWQHRMXVEW-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.28
Rot. Bonds3

About N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78983436) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78983436
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CNC(=O)C2)cc1S(N)(=O)=O
InChIInChI=1S/C12H15N3O4S/c1-7-2-3-9(5-10(7)20(13,18)19)15-12(17)8-4-11(16)14-6-8/h2-3,5,8H,4,6H2,1H3,(H,14,16)(H,15,17)(H2,13,18,19)
InChIKeyCJCSHWQHRMXVEW-UHFFFAOYSA-N
XLogP-0.28
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981663
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533
N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982696
N-(3-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191745
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47048097

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78983436) is N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CNC(=O)C2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CJCSHWQHRMXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-7-2-3-9(5-10(7)20(13,18)19)15-12(17)8-4-11(16)14-6-8/h2-3,5,8H,4,6H2,1H3,(H,14,16)(H,15,17)(H2,13,18,19).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 297.34 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78983436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).