(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide

C23H20N2O2S — CID 9350723

IUPAC(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H20N2O2S/c26-22-15-17(16-25(22)18-9-3-1-4-10-18)23(27)24-20-13-7-8-14-21(20)28-19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,24,27)/t17-/m1/s1
InChIKeyGXHUAJBYSBVSRR-QGZVFWFLSA-N
MW388.49 g/mol
LogP4.83
Rot. Bonds5

About (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide

(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide (PubChem CID 9350723) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
PubChem CID9350723
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H20N2O2S/c26-22-15-17(16-25(22)18-9-3-1-4-10-18)23(27)24-20-13-7-8-14-21(20)28-19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,24,27)/t17-/m1/s1
InChIKeyGXHUAJBYSBVSRR-QGZVFWFLSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(2-phenylsulfanylphenyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791087
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 7337349
1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 108791260
1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 17152506
1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6491186
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803681
N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46806850
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
(3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 52897667
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide (CID 9350723) is (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is GXHUAJBYSBVSRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-22-15-17(16-25(22)18-9-3-1-4-10-18)23(27)24-20-13-7-8-14-21(20)28-19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,24,27)/t17-/m1/s1.
What are the key properties of (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9350723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).