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

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Related Compounds

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CID 880073
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CID 7185404
N-cyclohexyl-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7386568
2-((4-(2-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-phenethylacetamide
CID 7386571
N-(2-chlorobenzyl)-2-((4-(2-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)acetamide
CID 18579496
2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide
CID 25161918
2-((4-(3,4-difluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(4-methoxybenzyl)acetamide
CID 18579565
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] N-benzyl-N-phenylcarbamodithioate
CID 11224367
1-ethyl-4-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}thio)quinolin-2(1H)-one
CID 3237294
1-{3-[(2-Fluorobenzyl)thio]propanoyl}-4-(2-methoxyphenyl)piperazine
CID 5053728
N-benzyl-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7386567
2-(3-Fluorophenyl)-3-(2-methoxyphenyl)thiazolidin-4-one
CID 90676013

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).