[(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate

C23H20O4S — CID 2347509

IUPAC[(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate
SMILESCOc1cc(SC)ccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O4S/c1-26-20-15-18(28-2)13-14-19(20)23(25)27-22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-15,22H,1-2H3/t22-/m1/s1
InChIKeyHNDLJOXZLDQGAC-JOCHJYFZSA-N
MW392.48 g/mol
LogP5.20
Rot. Bonds7

About [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate

[(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate (PubChem CID 2347509) has the molecular formula C23H20O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate
PubChem CID2347509
Molecular FormulaC23H20O4S
Molecular Weight392.48 g/mol
Exact Mass392.11
IUPAC Name[(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate
SMILESCOc1cc(SC)ccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O4S/c1-26-20-15-18(28-2)13-14-19(20)23(25)27-22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-15,22H,1-2H3/t22-/m1/s1
InChIKeyHNDLJOXZLDQGAC-JOCHJYFZSA-N
XLogP5.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate with MolForge

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7698906
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7775281
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
CID 7767644
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
[(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate
CID 126181966
(4-phenylphenyl) 2-methoxy-4-methylsulfanylbenzoate
CID 7926510
[(1S)-2-oxo-1,2-diphenylethyl] 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186245
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014213
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
CID 7767577

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate?
The IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate (CID 2347509) is [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate.
What is the SMILES notation for [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate?
The canonical SMILES for [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate is COc1cc(SC)ccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate?
The InChIKey is HNDLJOXZLDQGAC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H20O4S/c1-26-20-15-18(28-2)13-14-19(20)23(25)27-22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-15,22H,1-2H3/t22-/m1/s1.
What are the key properties of [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate?
[(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate has a molecular weight of 392.48 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate is sourced from PubChem (CID 2347509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).