1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one

C24H20OS2 — CID 2732450

IUPAC1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one
SMILESCc1ccc(C(=O)CC(Sc2ccc3ccccc3c2)c2ccsc2)cc1
InChIInChI=1S/C24H20OS2/c1-17-6-8-19(9-7-17)23(25)15-24(21-12-13-26-16-21)27-22-11-10-18-4-2-3-5-20(18)14-22/h2-14,16,24H,15H2,1H3
InChIKeyGOFGXPXSBXQCDY-UHFFFAOYSA-N
MW388.56 g/mol
LogP7.32
Rot. Bonds6

About 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one

1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one (PubChem CID 2732450) has the molecular formula C24H20OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one
PubChem CID2732450
Molecular FormulaC24H20OS2
Molecular Weight388.56 g/mol
Exact Mass388.10
IUPAC Name1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one
SMILESCc1ccc(C(=O)CC(Sc2ccc3ccccc3c2)c2ccsc2)cc1
InChIInChI=1S/C24H20OS2/c1-17-6-8-19(9-7-17)23(25)15-24(21-12-13-26-16-21)27-22-11-10-18-4-2-3-5-20(18)14-22/h2-14,16,24H,15H2,1H3
InChIKeyGOFGXPXSBXQCDY-UHFFFAOYSA-N
XLogP7.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one (CID 2732450) is 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one is Cc1ccc(C(=O)CC(Sc2ccc3ccccc3c2)c2ccsc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one?
The InChIKey is GOFGXPXSBXQCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20OS2/c1-17-6-8-19(9-7-17)23(25)15-24(21-12-13-26-16-21)27-22-11-10-18-4-2-3-5-20(18)14-22/h2-14,16,24H,15H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one?
1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one has a molecular weight of 388.56 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-naphthalen-2-ylsulfanyl-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 2732450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).