1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H25N3O7S — CID 43060223

IUPAC1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C22H25N3O7S/c1-14(12-30-2)24-33(28,29)18-6-3-16(4-7-18)23-22(27)15-9-21(26)25(11-15)17-5-8-19-20(10-17)32-13-31-19/h3-8,10,14-15,24H,9,11-13H2,1-2H3,(H,23,27)
InChIKeyGOPIQSYCLJZYJJ-UHFFFAOYSA-N
MW475.52 g/mol
LogP1.72
Rot. Bonds8

About 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43060223) has the molecular formula C22H25N3O7S and a molecular weight of 475.52 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43060223
Molecular FormulaC22H25N3O7S
Molecular Weight475.52 g/mol
Exact Mass475.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C22H25N3O7S/c1-14(12-30-2)24-33(28,29)18-6-3-16(4-7-18)23-22(27)15-9-21(26)25(11-15)17-5-8-19-20(10-17)32-13-31-19/h3-8,10,14-15,24H,9,11-13H2,1-2H3,(H,23,27)
InChIKeyGOPIQSYCLJZYJJ-UHFFFAOYSA-N
XLogP1.72
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(4-ethylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43060382
1-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55581237
1-(1,3-benzodioxol-5-yl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55864405
1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55360189
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26213308
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497336
1-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791257
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926
(3R)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40634791
(3S)-N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373432
(3R)-N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373430
1-(1,3-benzodioxol-5-yl)-N-(4-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791224

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 43060223) is 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GOPIQSYCLJZYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O7S/c1-14(12-30-2)24-33(28,29)18-6-3-16(4-7-18)23-22(27)15-9-21(26)25(11-15)17-5-8-19-20(10-17)32-13-31-19/h3-8,10,14-15,24H,9,11-13H2,1-2H3,(H,23,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43060223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).