(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H19FN2O4S — CID 30179761

IUPAC(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C19H19FN2O4S/c1-2-27(25,26)15-9-7-14(8-10-15)21-19(24)13-11-18(23)22(12-13)17-6-4-3-5-16(17)20/h3-10,13H,2,11-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyROXPHSXKXZRSSN-CYBMUJFWSA-N
MW390.44 g/mol
LogP2.61
Rot. Bonds5

About (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 30179761) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID30179761
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C19H19FN2O4S/c1-2-27(25,26)15-9-7-14(8-10-15)21-19(24)13-11-18(23)22(12-13)17-6-4-3-5-16(17)20/h3-10,13H,2,11-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyROXPHSXKXZRSSN-CYBMUJFWSA-N
XLogP2.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-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

(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 8623706
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
1-(1,3-benzodioxol-5-yl)-N-(4-ethylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43060382
N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120453
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 30179761) is (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1.
What is the InChIKey of (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ROXPHSXKXZRSSN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-2-27(25,26)15-9-7-14(8-10-15)21-19(24)13-11-18(23)22(12-13)17-6-4-3-5-16(17)20/h3-10,13H,2,11-12H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 30179761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).