1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide

C15H15FN2O3S — CID 6493315

IUPAC1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCSC1=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN2O3S/c16-10-1-3-11(4-2-10)18-8-9(7-13(18)19)14(20)17-12-5-6-22-15(12)21/h1-4,9,12H,5-8H2,(H,17,20)
InChIKeyMABKNRCSDAHHRS-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.33
Rot. Bonds3

About 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide (PubChem CID 6493315) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
PubChem CID6493315
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCSC1=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN2O3S/c16-10-1-3-11(4-2-10)18-8-9(7-13(18)19)14(20)17-12-5-6-22-15(12)21/h1-4,9,12H,5-8H2,(H,17,20)
InChIKeyMABKNRCSDAHHRS-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)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

N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
1-(4-Fluorophenyl)-3-(4-thiomorpholinyl)-2,5-pyrrolidinedione
CID 2854685
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-fluorophenyl)-5-oxothiolane-3-carboxamide
CID 3227527
N-(2-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 16380000
N-(4-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 16382378
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571916
[(2S,4S)-4-Anilinopyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone
CID 44422475
3-[(2-Aminoethyl)thio]-1-(4-fluorophenyl)-2,5-pyrrolidinedione hydrochloride
CID 17369996
1-cyclopentyl-N-methyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide
CID 16305490
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 647039
1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (4,5-dihydro-thiazol-2-yl)-amide
CID 3155569
1-(4-fluorophenyl)-N-[(2S)-3-methyl-1-oxo-1-(piperidin-1-yl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17578356

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide (CID 6493315) is 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide is O=C(NC1CCSC1=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is MABKNRCSDAHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c16-10-1-3-11(4-2-10)18-8-9(7-13(18)19)14(20)17-12-5-6-22-15(12)21/h1-4,9,12H,5-8H2,(H,17,20).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 6493315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).