(4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C32H31NO3S — CID 10744274

IUPAC(4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N([C@@H](Sc2ccccc2)[C@@H](O)c2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31NO3S/c1-23(2)29-32(25-17-9-4-10-18-25,26-19-11-5-12-20-26)36-31(35)33(29)30(37-27-21-13-6-14-22-27)28(34)24-15-7-3-8-16-24/h3-23,28-30,34H,1-2H3/t28-,29-,30-/m0/s1
InChIKeyWQGUYPDAKGNWNU-DTXPUJKBSA-N
MW509.67 g/mol
LogP7.26
Rot. Bonds8

About (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10744274) has the molecular formula C32H31NO3S and a molecular weight of 509.67 g/mol. Its IUPAC name is (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10744274
Molecular FormulaC32H31NO3S
Molecular Weight509.67 g/mol
Exact Mass509.20
IUPAC Name(4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N([C@@H](Sc2ccccc2)[C@@H](O)c2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31NO3S/c1-23(2)29-32(25-17-9-4-10-18-25,26-19-11-5-12-20-26)36-31(35)33(29)30(37-27-21-13-6-14-22-27)28(34)24-15-7-3-8-16-24/h3-23,28-30,34H,1-2H3/t28-,29-,30-/m0/s1
InChIKeyWQGUYPDAKGNWNU-DTXPUJKBSA-N
XLogP7.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.67
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one 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

(4S)-3-[(1S,2S)-2-(methoxymethoxy)-1-methylsulfanyl-2-phenylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11202681
(4S)-3-[(1S,2S)-2-hydroxy-3-methyl-1-methylsulfanylbutyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11418525
(4S)-3-[(1S,2S)-2-hydroxy-1-methylsulfanyl-2-phenylpropyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11431138
(4S)-3-[(1S,2R)-2-hydroxy-3-methyl-1-methylsulfanylbutyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11452694
(4S)-3-[(1S,2S)-2-hydroxy-1-methylsulfanyl-2-phenylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893984
(4S)-3-[(1S,2S)-2-hydroxy-3-methyl-1-methylsulfanylbut-3-enyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893985
(4S)-5,5-diphenyl-4-propan-2-yl-3-[(1S,2S)-3,3,3-trifluoro-2-hydroxy-1-methylsulfanyl-2-phenylpropyl]-1,3-oxazolidin-2-one
CID 101717669
(2S,4R)-2-(2,4,5-trifluoro-benzyloxymethyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 11786887
(4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10525228
(4S)-3-[(1S,2S)-2-hydroxy-1-methylsulfanylpentyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10573791
(4S)-3-[(E,1S,2S)-2-hydroxy-1-methylsulfanyl-4-phenylbut-3-enyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10576445
(4S)-3-[(1S,2S)-2-cyclopropyl-2-hydroxy-1-methylsulfanylpropyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10622317

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10744274) is (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N([C@@H](Sc2ccccc2)[C@@H](O)c2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is WQGUYPDAKGNWNU-DTXPUJKBSA-N. The full InChI is InChI=1S/C32H31NO3S/c1-23(2)29-32(25-17-9-4-10-18-25,26-19-11-5-12-20-26)36-31(35)33(29)30(37-27-21-13-6-14-22-27)28(34)24-15-7-3-8-16-24/h3-23,28-30,34H,1-2H3/t28-,29-,30-/m0/s1.
What are the key properties of (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 509.67 g/mol, XLogP of 7.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10744274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).