2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone

C18H19ClOS — CID 115569345

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CSCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClOS/c1-2-3-14-4-8-16(9-5-14)18(20)13-21-12-15-6-10-17(19)11-7-15/h4-11H,2-3,12-13H2,1H3
InChIKeyJFPGXDXWAYAWMH-UHFFFAOYSA-N
MW318.87 g/mol
LogP5.41
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone

2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone (PubChem CID 115569345) has the molecular formula C18H19ClOS and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone
PubChem CID115569345
Molecular FormulaC18H19ClOS
Molecular Weight318.87 g/mol
Exact Mass318.08
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CSCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClOS/c1-2-3-14-4-8-16(9-5-14)18(20)13-21-12-15-6-10-17(19)11-7-15/h4-11H,2-3,12-13H2,1H3
InChIKeyJFPGXDXWAYAWMH-UHFFFAOYSA-N
XLogP5.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.87
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone 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

methyl 2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanylacetate
CID 43414117
1-[(4-chlorophenyl)methylsulfanyl]pentan-2-one
CID 114790785
2-[(4-chlorophenyl)methylsulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 115569346
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 14923350
4-[[2-(4-methylphenyl)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 82178483
2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone
CID 107771489
2-ethylsulfanyl-1-(4-hexylphenyl)ethanone
CID 82050314
1-(4-acetylpiperazin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
CID 78760242
2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43218705
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 39566324
1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
CID 115569352

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone (CID 115569345) is 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CSCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone?
The InChIKey is JFPGXDXWAYAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClOS/c1-2-3-14-4-8-16(9-5-14)18(20)13-21-12-15-6-10-17(19)11-7-15/h4-11H,2-3,12-13H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone?
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone has a molecular weight of 318.87 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 115569345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).