1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone

C28H22O3S — CID 158137220

IUPAC1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4cccs4)cc3)cc2)cc1
InChIInChI=1S/C28H22O3S/c1-19-4-10-22(11-5-19)25(29)17-20-6-12-23(13-7-20)28(31)24-14-8-21(9-15-24)18-26(30)27-3-2-16-32-27/h2-16H,17-18H2,1H3
InChIKeyGWNQMLBEGMKILS-UHFFFAOYSA-N
MW438.55 g/mol
LogP6.14
Rot. Bonds8

About 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone

1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone (PubChem CID 158137220) has the molecular formula C28H22O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone
PubChem CID158137220
Molecular FormulaC28H22O3S
Molecular Weight438.55 g/mol
Exact Mass438.13
IUPAC Name1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4cccs4)cc3)cc2)cc1
InChIInChI=1S/C28H22O3S/c1-19-4-10-22(11-5-19)25(29)17-20-6-12-23(13-7-20)28(31)24-14-8-21(9-15-24)18-26(30)27-3-2-16-32-27/h2-16H,17-18H2,1H3
InChIKeyGWNQMLBEGMKILS-UHFFFAOYSA-N
XLogP6.14
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone with MolForge

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Related Compounds

2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
CID 160839324
methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
CID 21391799
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
1-thiophen-2-ylpropan-1-one
CID 26179
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720
[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone
CID 66635446

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone (CID 158137220) is 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone is Cc1ccc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4cccs4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone?
The InChIKey is GWNQMLBEGMKILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3S/c1-19-4-10-22(11-5-19)25(29)17-20-6-12-23(13-7-20)28(31)24-14-8-21(9-15-24)18-26(30)27-3-2-16-32-27/h2-16H,17-18H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone?
1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone has a molecular weight of 438.55 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone is sourced from PubChem (CID 158137220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).