1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one

C19H15FN2O2S — CID 16824559

IUPAC1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESCc1ccc(C(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H15FN2O2S/c1-13-2-4-14(5-3-13)17(23)12-25-18-19(24)22(11-10-21-18)16-8-6-15(20)7-9-16/h2-11H,12H2,1H3
InChIKeyVEOCSCNLWWDLIV-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one

1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one (PubChem CID 16824559) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one
PubChem CID16824559
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESCc1ccc(C(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H15FN2O2S/c1-13-2-4-14(5-3-13)17(23)12-25-18-19(24)22(11-10-21-18)16-8-6-15(20)7-9-16/h2-11H,12H2,1H3
InChIKeyVEOCSCNLWWDLIV-UHFFFAOYSA-N
XLogP3.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one (CID 16824559) is 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one is Cc1ccc(C(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The InChIKey is VEOCSCNLWWDLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-13-2-4-14(5-3-13)17(23)12-25-18-19(24)22(11-10-21-18)16-8-6-15(20)7-9-16/h2-11H,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one is sourced from PubChem (CID 16824559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).