(4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one

C24H21NO4S — CID 134951321

IUPAC(4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21NO4S/c1-17-12-14-20(15-13-17)30(28,29)25-22(26)16-21(18-8-4-2-5-9-18)23(25)24(27)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-,23+/m1/s1
InChIKeyLIVNGBCOJRWYGR-GGAORHGYSA-N
MW419.50 g/mol
LogP3.95
Rot. Bonds5

About (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one

(4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one (PubChem CID 134951321) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one
PubChem CID134951321
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC Name(4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21NO4S/c1-17-12-14-20(15-13-17)30(28,29)25-22(26)16-21(18-8-4-2-5-9-18)23(25)24(27)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-,23+/m1/s1
InChIKeyLIVNGBCOJRWYGR-GGAORHGYSA-N
XLogP3.95
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzoylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 145978605
(3aS,9bS)-6-methyl-3-methylidene-1-(4-methylphenyl)sulfonyl-9-phenyl-4,5,7,9b-tetrahydro-3aH-azuleno[4,5-b]pyrrole-2,8-dione
CID 162675469
[(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-prop-1-enyl]pyrrolidin-3-yl]-phenylmethanone
CID 46930113
[(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-1-enyl]pyrrolidin-3-yl]-phenylmethanone
CID 46930114
(3aR,7aS)-2-(4-methylphenyl)sulfonyl-6,7-diphenyl-3,3a,4,7a-tetrahydro-1H-isoindol-5-one
CID 101518539
[(3R,4S)-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 139091582
N-methyl-2-oxo,2-phenyl-N-tosylacetamide
CID 102339485
6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide
CID 177490629
1-(4-fluorophenyl)-2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanone
CID 139792691
3-[3-(4-acetylphenyl)phenyl]-1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 157479303
4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
5-Benzyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 21607223

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one (CID 134951321) is (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)C[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The InChIKey is LIVNGBCOJRWYGR-GGAORHGYSA-N. The full InChI is InChI=1S/C24H21NO4S/c1-17-12-14-20(15-13-17)30(28,29)25-22(26)16-21(18-8-4-2-5-9-18)23(25)24(27)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-,23+/m1/s1.
What are the key properties of (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one?
(4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one has a molecular weight of 419.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 134951321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).