(3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide

C20H19FN2O2S — CID 30997521

IUPAC(3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESC=CCSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C20H19FN2O2S/c1-2-11-26-18-10-6-4-8-16(18)22-20(25)14-12-19(24)23(13-14)17-9-5-3-7-15(17)21/h2-10,14H,1,11-13H2,(H,22,25)/t14-/m1/s1
InChIKeyIFPJSZIXKJUGBJ-CQSZACIVSA-N
MW370.45 g/mol
LogP4.10
Rot. Bonds6

About (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide

(3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide (PubChem CID 30997521) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide
PubChem CID30997521
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name(3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESC=CCSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C20H19FN2O2S/c1-2-11-26-18-10-6-4-8-16(18)22-20(25)14-12-19(24)23(13-14)17-9-5-3-7-15(17)21/h2-10,14H,1,11-13H2,(H,22,25)/t14-/m1/s1
InChIKeyIFPJSZIXKJUGBJ-CQSZACIVSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 43030785
(3R)-1-(2-fluorophenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 37004962
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
1-(2-fluorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507733
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30844050
(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52898685
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43042241
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide (CID 30997521) is (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide is C=CCSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is IFPJSZIXKJUGBJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-2-11-26-18-10-6-4-8-16(18)22-20(25)14-12-19(24)23(13-14)17-9-5-3-7-15(17)21/h2-10,14H,1,11-13H2,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide?
(3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 30997521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).