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

C19H14F2N2O2S — CID 18579469

IUPAC1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESCc1ccc(-n2ccnc(SCC(=O)c3ccc(F)cc3)c2=O)cc1F
InChIInChI=1S/C19H14F2N2O2S/c1-12-2-7-15(10-16(12)21)23-9-8-22-18(19(23)25)26-11-17(24)13-3-5-14(20)6-4-13/h2-10H,11H2,1H3
InChIKeyNPSRDHGTJNWTGX-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.79
Rot. Bonds5

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

1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one (PubChem CID 18579469) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
PubChem CID18579469
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESCc1ccc(-n2ccnc(SCC(=O)c3ccc(F)cc3)c2=O)cc1F
InChIInChI=1S/C19H14F2N2O2S/c1-12-2-7-15(10-16(12)21)23-9-8-22-18(19(23)25)26-11-17(24)13-3-5-14(20)6-4-13/h2-10H,11H2,1H3
InChIKeyNPSRDHGTJNWTGX-UHFFFAOYSA-N
XLogP3.79
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one (CID 18579469) is 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one is Cc1ccc(-n2ccnc(SCC(=O)c3ccc(F)cc3)c2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The InChIKey is NPSRDHGTJNWTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c1-12-2-7-15(10-16(12)21)23-9-8-22-18(19(23)25)26-11-17(24)13-3-5-14(20)6-4-13/h2-10H,11H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one has a molecular weight of 372.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one is sourced from PubChem (CID 18579469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).