[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate

C28H22O3S — CID 2386634

IUPAC[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C(c1ccccc1)[C@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22O3S/c29-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)31-28(30)27(23-17-9-3-10-18-23)32-24-19-11-4-12-20-24/h1-20,26-27H/t26-,27-/m1/s1
InChIKeyKKPCIKRRAOTZGB-KAYWLYCHSA-N
MW438.55 g/mol
LogP6.69
Rot. Bonds8

About [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate

[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 2386634) has the molecular formula C28H22O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
PubChem CID2386634
Molecular FormulaC28H22O3S
Molecular Weight438.55 g/mol
Exact Mass438.13
IUPAC Name[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C(c1ccccc1)[C@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22O3S/c29-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)31-28(30)27(23-17-9-3-10-18-23)32-24-19-11-4-12-20-24/h1-20,26-27H/t26-,27-/m1/s1
InChIKeyKKPCIKRRAOTZGB-KAYWLYCHSA-N
XLogP6.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
CID 2797592
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
(2-oxo-1,2-diphenylethyl) 2,2,2-trichloroacetate
CID 101263955
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842858
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842838
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821241
(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
CID 174432426
S-phenyl 2-phenyl-2-phenylsulfanylethanethioate
CID 12597831
[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926233

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate (CID 2386634) is [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate is O=C(c1ccccc1)[C@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is KKPCIKRRAOTZGB-KAYWLYCHSA-N. The full InChI is InChI=1S/C28H22O3S/c29-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)31-28(30)27(23-17-9-3-10-18-23)32-24-19-11-4-12-20-24/h1-20,26-27H/t26-,27-/m1/s1.
What are the key properties of [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 438.55 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 2386634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).