N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide

C13H17N3O4S — CID 168717045

IUPACN-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C13H17N3O4S/c1-2-15-13(18)9-3-5-10(6-4-9)16-8-11(7-12(16)17)21(14,19)20/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyOTUMNJJXSQAEOB-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.17
Rot. Bonds4

About N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide

N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide (PubChem CID 168717045) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
PubChem CID168717045
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C13H17N3O4S/c1-2-15-13(18)9-3-5-10(6-4-9)16-8-11(7-12(16)17)21(14,19)20/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyOTUMNJJXSQAEOB-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
CID 168699248
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate
CID 168717232
N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035
1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711191
1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717038
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761
N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716959
methyl 2-bromo-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717280

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide?
The IUPAC name of N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide (CID 168717045) is N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide?
The canonical SMILES for N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide is CCNC(=O)c1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide?
The InChIKey is OTUMNJJXSQAEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-2-15-13(18)9-3-5-10(6-4-9)16-8-11(7-12(16)17)21(14,19)20/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H2,14,19,20).
What are the key properties of N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide?
N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide has a molecular weight of 311.36 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 168717045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).