1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19ClN2O4S — CID 2997690

IUPAC1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H19ClN2O4S/c1-27(25,26)15-7-8-16(20)17(10-15)21-19(24)14-9-18(23)22(12-14)11-13-5-3-2-4-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,21,24)
InChIKeyAZFKAFXNCQNJAI-UHFFFAOYSA-N
MW406.89 g/mol
LogP2.73
Rot. Bonds5

About 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2997690) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2997690
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H19ClN2O4S/c1-27(25,26)15-7-8-16(20)17(10-15)21-19(24)14-9-18(23)22(12-14)11-13-5-3-2-4-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,21,24)
InChIKeyAZFKAFXNCQNJAI-UHFFFAOYSA-N
XLogP2.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-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

N-(2-chloro-5-methylsulfonylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 3947416
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4870003
1-benzyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25163321
N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 8899442
1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18079666
1-(4-chlorobenzoyl)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-3-carboxamide
CID 16297040
1-(2-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16305507
1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 24981543
[2-(2-Chloro-5-methylsulfonylanilino)-2-oxoethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate
CID 25162362
N-(2-chloro-5-methylsulfonylphenyl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 25163718
N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide
CID 2089148
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4676496

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2997690) is 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AZFKAFXNCQNJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-27(25,26)15-7-8-16(20)17(10-15)21-19(24)14-9-18(23)22(12-14)11-13-5-3-2-4-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,21,24).
What are the key properties of 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 406.89 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2997690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).