1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one

C20H20N2O2S — CID 46337692

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one
SMILESCOc1ccc(C)cc1-n1ccnc(SCc2ccccc2C)c1=O
InChIInChI=1S/C20H20N2O2S/c1-14-8-9-18(24-3)17(12-14)22-11-10-21-19(20(22)23)25-13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3
InChIKeyQTKZMMDGMHQAQJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.15
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one

1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one (PubChem CID 46337692) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one
PubChem CID46337692
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one
SMILESCOc1ccc(C)cc1-n1ccnc(SCc2ccccc2C)c1=O
InChIInChI=1S/C20H20N2O2S/c1-14-8-9-18(24-3)17(12-14)22-11-10-21-19(20(22)23)25-13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3
InChIKeyQTKZMMDGMHQAQJ-UHFFFAOYSA-N
XLogP4.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]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 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one (CID 46337692) is 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one is COc1ccc(C)cc1-n1ccnc(SCc2ccccc2C)c1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one?
The InChIKey is QTKZMMDGMHQAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-8-9-18(24-3)17(12-14)22-11-10-21-19(20(22)23)25-13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one?
1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one has a molecular weight of 352.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one is sourced from PubChem (CID 46337692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).