N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide

C12H15N3O4S — CID 168716959

IUPACN-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H15N3O4S/c1-8(16)14-9-3-2-4-10(5-9)15-7-11(6-12(15)17)20(13,18)19/h2-5,11H,6-7H2,1H3,(H,14,16)(H2,13,18,19)
InChIKeyTWQXACWRQLXNRG-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.04
Rot. Bonds3

About N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide

N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide (PubChem CID 168716959) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
PubChem CID168716959
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H15N3O4S/c1-8(16)14-9-3-2-4-10(5-9)15-7-11(6-12(15)17)20(13,18)19/h2-5,11H,6-7H2,1H3,(H,14,16)(H2,13,18,19)
InChIKeyTWQXACWRQLXNRG-UHFFFAOYSA-N
XLogP0.04
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937
N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
S-[[1-(3-acetamidophenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666389
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50838030
(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide
CID 92884772

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide (CID 168716959) is N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1.
What is the InChIKey of N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is TWQXACWRQLXNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8(16)14-9-3-2-4-10(5-9)15-7-11(6-12(15)17)20(13,18)19/h2-5,11H,6-7H2,1H3,(H,14,16)(H2,13,18,19).
What are the key properties of N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide?
N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 297.34 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 168716959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).