1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H22ClN3O4S — CID 24981543

IUPAC1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-23(2)29(27,28)17-9-7-16(8-10-17)22-20(26)15-11-19(25)24(13-15)12-14-5-3-4-6-18(14)21/h3-10,15H,11-13H2,1-2H3,(H,22,26)
InChIKeyJELRKUXARNKAJD-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.58
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 24981543) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID24981543
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-23(2)29(27,28)17-9-7-16(8-10-17)22-20(26)15-11-19(25)24(13-15)12-14-5-3-4-6-18(14)21/h3-10,15H,11-13H2,1-2H3,(H,22,26)
InChIKeyJELRKUXARNKAJD-UHFFFAOYSA-N
XLogP2.58
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 24981543) is 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JELRKUXARNKAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-23(2)29(27,28)17-9-7-16(8-10-17)22-20(26)15-11-19(25)24(13-15)12-14-5-3-4-6-18(14)21/h3-10,15H,11-13H2,1-2H3,(H,22,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.93 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24981543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).