2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone

C27H20O2S — CID 151688596

IUPAC2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H20O2S/c28-26(21-7-3-1-4-8-21)19-20-11-15-24(16-12-20)30-25-17-13-23(14-18-25)27(29)22-9-5-2-6-10-22/h1-18H,19H2
InChIKeyRCBOJTPJJLNKGC-UHFFFAOYSA-N
MW408.52 g/mol
LogP6.49
Rot. Bonds7

About 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone

2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone (PubChem CID 151688596) has the molecular formula C27H20O2S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
PubChem CID151688596
Molecular FormulaC27H20O2S
Molecular Weight408.52 g/mol
Exact Mass408.12
IUPAC Name2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H20O2S/c28-26(21-7-3-1-4-8-21)19-20-11-15-24(16-12-20)30-25-17-13-23(14-18-25)27(29)22-9-5-2-6-10-22/h1-18H,19H2
InChIKeyRCBOJTPJJLNKGC-UHFFFAOYSA-N
XLogP6.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone 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

1,2-diphenylethanone;diphenylmethanone
CID 141067729
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
CID 150446587
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
4-phenacylbenzoyl iodide
CID 142013538
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 146008554
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone
CID 169083095
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone?
The IUPAC name of 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone (CID 151688596) is 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone?
The canonical SMILES for 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone is O=C(Cc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone?
The InChIKey is RCBOJTPJJLNKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O2S/c28-26(21-7-3-1-4-8-21)19-20-11-15-24(16-12-20)30-25-17-13-23(14-18-25)27(29)22-9-5-2-6-10-22/h1-18H,19H2.
What are the key properties of 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone?
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone has a molecular weight of 408.52 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone is sourced from PubChem (CID 151688596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).