2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide

C13H17N3O4S — CID 17248914

IUPAC2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C13H17N3O4S/c14-21(19,20)11-5-3-10(4-6-11)9-15-12(17)13(18)16-7-1-2-8-16/h3-6H,1-2,7-9H2,(H,15,17)(H2,14,19,20)
InChIKeyBOVMELOFNOVSGM-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.43
Rot. Bonds3

About 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide

2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 17248914) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID17248914
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C13H17N3O4S/c14-21(19,20)11-5-3-10(4-6-11)9-15-12(17)13(18)16-7-1-2-8-16/h3-6H,1-2,7-9H2,(H,15,17)(H2,14,19,20)
InChIKeyBOVMELOFNOVSGM-UHFFFAOYSA-N
XLogP-0.43
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 108520273
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 30739658
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108517755
2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108516978
2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108520313
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 17248914) is 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is BOVMELOFNOVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c14-21(19,20)11-5-3-10(4-6-11)9-15-12(17)13(18)16-7-1-2-8-16/h3-6H,1-2,7-9H2,(H,15,17)(H2,14,19,20).
What are the key properties of 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 311.36 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 17248914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).