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

C19H18N2O2S — CID 20942000

IUPAC1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
SMILESCOc1cccc(-n2ccnc(SCc3cccc(C)c3)c2=O)c1
InChIInChI=1S/C19H18N2O2S/c1-14-5-3-6-15(11-14)13-24-18-19(22)21(10-9-20-18)16-7-4-8-17(12-16)23-2/h3-12H,13H2,1-2H3
InChIKeyPNUOUIIBWLWBRH-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.84
Rot. Bonds5

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

1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one (PubChem CID 20942000) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
PubChem CID20942000
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
SMILESCOc1cccc(-n2ccnc(SCc3cccc(C)c3)c2=O)c1
InChIInChI=1S/C19H18N2O2S/c1-14-5-3-6-15(11-14)13-24-18-19(22)21(10-9-20-18)16-7-4-8-17(12-16)23-2/h3-12H,13H2,1-2H3
InChIKeyPNUOUIIBWLWBRH-UHFFFAOYSA-N
XLogP3.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721436
N-benzyl-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941994
3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one
CID 46337695
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 18579418
1-(3,5-dimethylphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-one
CID 9153749
3-[(3-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
CID 42553786
N-(3,4-dimethylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 50790472
3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337703
3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one
CID 18579495
N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20942006
N-(4-ethylphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941761
1-(4-bromophenyl)-3-[(3-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 30632305

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one (CID 20942000) is 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one is COc1cccc(-n2ccnc(SCc3cccc(C)c3)c2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one?
The InChIKey is PNUOUIIBWLWBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-5-3-6-15(11-14)13-24-18-19(22)21(10-9-20-18)16-7-4-8-17(12-16)23-2/h3-12H,13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one?
1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one has a molecular weight of 338.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one is sourced from PubChem (CID 20942000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).