1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone

C17H18O2S — CID 43426414

IUPAC1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone
SMILESCCc1ccc(C(=O)CSc2cccc(OC)c2)cc1
InChIInChI=1S/C17H18O2S/c1-3-13-7-9-14(10-8-13)17(18)12-20-16-6-4-5-15(11-16)19-2/h4-11H,3,12H2,1-2H3
InChIKeyCOGIYOCLQIERTC-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone

1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone (PubChem CID 43426414) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone
PubChem CID43426414
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone
SMILESCCc1ccc(C(=O)CSc2cccc(OC)c2)cc1
InChIInChI=1S/C17H18O2S/c1-3-13-7-9-14(10-8-13)17(18)12-20-16-6-4-5-15(11-16)19-2/h4-11H,3,12H2,1-2H3
InChIKeyCOGIYOCLQIERTC-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone 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

2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851
potassium;2-bromo-1-(4-methoxyphenyl)ethanone;3-methoxybenzenethiol;1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone;hydroxide
CID 162244909
N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 19299539
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
1-[4-[(3-methoxyphenyl)methylsulfanyl]phenyl]pentan-1-one
CID 94779718
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299599
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
2-methoxy-4-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 106794194

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone (CID 43426414) is 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone is CCc1ccc(C(=O)CSc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone?
The InChIKey is COGIYOCLQIERTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-3-13-7-9-14(10-8-13)17(18)12-20-16-6-4-5-15(11-16)19-2/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone?
1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone has a molecular weight of 286.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone is sourced from PubChem (CID 43426414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).