(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C20H22FN3O4S — CID 8623706

IUPAC(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C20H22FN3O4S/c1-13(2)23-29(27,28)16-9-7-15(8-10-16)22-20(26)14-11-19(25)24(12-14)18-6-4-3-5-17(18)21/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyVMBNPAGSQJNIQE-AWEZNQCLSA-N
MW419.48 g/mol
LogP2.50
Rot. Bonds6

About (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 8623706) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID8623706
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C20H22FN3O4S/c1-13(2)23-29(27,28)16-9-7-15(8-10-16)22-20(26)14-11-19(25)24(12-14)18-6-4-3-5-17(18)21/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyVMBNPAGSQJNIQE-AWEZNQCLSA-N
XLogP2.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-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

(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30179761
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
(3R)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40634791
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40963997
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29449318
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 42915881
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080804
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 8623706) is (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1.
What is the InChIKey of (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VMBNPAGSQJNIQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-13(2)23-29(27,28)16-9-7-15(8-10-16)22-20(26)14-11-19(25)24(12-14)18-6-4-3-5-17(18)21/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 8623706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).