3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one

C20H18N2O2S — CID 46337703

IUPAC3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one
SMILESC=Cc1ccc(CSc2nccn(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C20H18N2O2S/c1-3-15-4-6-16(7-5-15)14-25-19-20(23)22(13-12-21-19)17-8-10-18(24-2)11-9-17/h3-13H,1,14H2,2H3
InChIKeyLIUYQZWSEQKXNV-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.18
Rot. Bonds6

About 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one

3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one (PubChem CID 46337703) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one
PubChem CID46337703
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one
SMILESC=Cc1ccc(CSc2nccn(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C20H18N2O2S/c1-3-15-4-6-16(7-5-15)14-25-19-20(23)22(13-12-21-19)17-8-10-18(24-2)11-9-17/h3-13H,1,14H2,2H3
InChIKeyLIUYQZWSEQKXNV-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
CID 42553785
1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 7386613
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 18579418
3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazin-2-one
CID 46337638
1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 20942000
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)pyrazin-2-one
CID 16824560
3-[(3-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
CID 42553786
N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941979
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551
methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 46517108
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246389

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one (CID 46337703) is 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one is C=Cc1ccc(CSc2nccn(-c3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one?
The InChIKey is LIUYQZWSEQKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-3-15-4-6-16(7-5-15)14-25-19-20(23)22(13-12-21-19)17-8-10-18(24-2)11-9-17/h3-13H,1,14H2,2H3.
What are the key properties of 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one?
3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one has a molecular weight of 350.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 46337703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).