3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one

C19H15ClN2O2S — CID 42585157

IUPAC3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one
SMILESCc1ccc(-n2ccnc(SCC(=O)c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C19H15ClN2O2S/c1-13-5-7-16(8-6-13)22-10-9-21-18(19(22)24)25-12-17(23)14-3-2-4-15(20)11-14/h2-11H,12H2,1H3
InChIKeyZQZAVCROQRMLPP-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.17
Rot. Bonds5

About 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one

3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one (PubChem CID 42585157) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one
PubChem CID42585157
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one
SMILESCc1ccc(-n2ccnc(SCC(=O)c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C19H15ClN2O2S/c1-13-5-7-16(8-6-13)22-10-9-21-18(19(22)24)25-12-17(23)14-3-2-4-15(20)11-14/h2-11H,12H2,1H3
InChIKeyZQZAVCROQRMLPP-UHFFFAOYSA-N
XLogP4.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one?
The IUPAC name of 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one (CID 42585157) is 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one is Cc1ccc(-n2ccnc(SCC(=O)c3cccc(Cl)c3)c2=O)cc1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one?
The InChIKey is ZQZAVCROQRMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-13-5-7-16(8-6-13)22-10-9-21-18(19(22)24)25-12-17(23)14-3-2-4-15(20)11-14/h2-11H,12H2,1H3.
What are the key properties of 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one?
3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one has a molecular weight of 370.86 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)pyrazin-2-one is sourced from PubChem (CID 42585157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).