1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C18H22N2O5S — CID 154745673

IUPAC1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(S(=O)(=O)NCC3CC=CCC3)cc2)C1
InChIInChI=1S/C18H22N2O5S/c21-17-10-14(18(22)23)12-20(17)15-6-8-16(9-7-15)26(24,25)19-11-13-4-2-1-3-5-13/h1-2,6-9,13-14,19H,3-5,10-12H2,(H,22,23)
InChIKeyNLDKFJYCAUUNIM-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.76
Rot. Bonds6

About 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 154745673) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID154745673
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(S(=O)(=O)NCC3CC=CCC3)cc2)C1
InChIInChI=1S/C18H22N2O5S/c21-17-10-14(18(22)23)12-20(17)15-6-8-16(9-7-15)26(24,25)19-11-13-4-2-1-3-5-13/h1-2,6-9,13-14,19H,3-5,10-12H2,(H,22,23)
InChIKeyNLDKFJYCAUUNIM-UHFFFAOYSA-N
XLogP1.76
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid 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

4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide
CID 47439938
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 48874740
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
(3R)-N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29132221
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
(3S)-1-[4-[(2-fluorophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39323749
(3S)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 28732907
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
(3R)-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29138872
1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 42652125

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 154745673) is 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(S(=O)(=O)NCC3CC=CCC3)cc2)C1.
What is the InChIKey of 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NLDKFJYCAUUNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c21-17-10-14(18(22)23)12-20(17)15-6-8-16(9-7-15)26(24,25)19-11-13-4-2-1-3-5-13/h1-2,6-9,13-14,19H,3-5,10-12H2,(H,22,23).
What are the key properties of 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 378.45 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 154745673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).