2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide

C13H17N3O4S — CID 12884402

IUPAC2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C13H17N3O4S/c14-21(19,20)11-5-3-10(4-6-11)7-8-15-13(18)16-9-1-2-12(16)17/h3-6H,1-2,7-9H2,(H,15,18)(H2,14,19,20)
InChIKeyNJUIVSGNBSEDEM-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.21
Rot. Bonds4

About 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide

2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 12884402) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID12884402
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C13H17N3O4S/c14-21(19,20)11-5-3-10(4-6-11)7-8-15-13(18)16-9-1-2-12(16)17/h3-6H,1-2,7-9H2,(H,15,18)(H2,14,19,20)
InChIKeyNJUIVSGNBSEDEM-UHFFFAOYSA-N
XLogP0.21
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-2-4-(trans-4-methylcyclohexyl)aminocarbonylaminosulfonylphenylethyl-2-oxo-
CID 3476
N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
CID 23645368
4-[(2,5-Dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 71602410
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155549031
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155555878
4-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 2316976
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810723
N-ethyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 2971751
N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 5136036
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide (CID 12884402) is 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)N2CCCC2=O)cc1.
What is the InChIKey of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is NJUIVSGNBSEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c14-21(19,20)11-5-3-10(4-6-11)7-8-15-13(18)16-9-1-2-12(16)17/h3-6H,1-2,7-9H2,(H,15,18)(H2,14,19,20).
What are the key properties of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide?
2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 12884402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).