[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

C23H19ClO3S — CID 7841014

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
SMILESO=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19ClO3S/c24-20-10-12-21(13-11-20)28-15-14-23(26)27-16-22(25)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13H,14-16H2
InChIKeyPULLHLVZENZMJU-UHFFFAOYSA-N
MW410.92 g/mol
LogP5.92
Rot. Bonds8

About [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate (PubChem CID 7841014) has the molecular formula C23H19ClO3S and a molecular weight of 410.92 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
PubChem CID7841014
Molecular FormulaC23H19ClO3S
Molecular Weight410.92 g/mol
Exact Mass410.07
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
SMILESO=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19ClO3S/c24-20-10-12-21(13-11-20)28-15-14-23(26)27-16-22(25)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13H,14-16H2
InChIKeyPULLHLVZENZMJU-UHFFFAOYSA-N
XLogP5.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2389364
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
[2-oxo-2-(4-phenylphenyl)ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209368
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
4-(4-chlorophenyl)sulfanyl-1-phenylbutan-1-one
CID 43413037
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2448864
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 3552776
[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 9139663
[2-(2-ethylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840983
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 19644736

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate (CID 7841014) is [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate is O=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The InChIKey is PULLHLVZENZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO3S/c24-20-10-12-21(13-11-20)28-15-14-23(26)27-16-22(25)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13H,14-16H2.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate has a molecular weight of 410.92 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7841014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).