(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide

C23H19FN2O2S — CID 7337349

IUPAC(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C23H19FN2O2S/c24-17-10-12-18(13-11-17)26-15-16(14-22(26)27)23(28)25-20-8-4-5-9-21(20)29-19-6-2-1-3-7-19/h1-13,16H,14-15H2,(H,25,28)/t16-/m0/s1
InChIKeySNOQAMCUTTVEOI-INIZCTEOSA-N
MW406.48 g/mol
LogP4.97
Rot. Bonds5

About (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide

(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide (PubChem CID 7337349) has the molecular formula C23H19FN2O2S and a molecular weight of 406.48 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
PubChem CID7337349
Molecular FormulaC23H19FN2O2S
Molecular Weight406.48 g/mol
Exact Mass406.12
IUPAC Name(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C23H19FN2O2S/c24-17-10-12-18(13-11-17)26-15-16(14-22(26)27)23(28)25-20-8-4-5-9-21(20)29-19-6-2-1-3-7-19/h1-13,16H,14-15H2,(H,25,28)/t16-/m0/s1
InChIKeySNOQAMCUTTVEOI-INIZCTEOSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 9350723
5-oxo-N-(2-phenylsulfanylphenyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791087
1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 108791260
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
(3S)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7337338
(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40977882
(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2585689
1-(4-fluorophenyl)-5-oxo-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17321835
1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6491186
N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803681
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide (CID 7337349) is (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SNOQAMCUTTVEOI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19FN2O2S/c24-17-10-12-18(13-11-17)26-15-16(14-22(26)27)23(28)25-20-8-4-5-9-21(20)29-19-6-2-1-3-7-19/h1-13,16H,14-15H2,(H,25,28)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7337349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).