1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one

C20H20N2O3S — CID 18579418

IUPAC1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(SCc3ccc(C)cc3)c2=O)cc1OC
InChIInChI=1S/C20H20N2O3S/c1-14-4-6-15(7-5-14)13-26-19-20(23)22(11-10-21-19)16-8-9-17(24-2)18(12-16)25-3/h4-12H,13H2,1-3H3
InChIKeyDHHRVSDSNKWONJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.85
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one

1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one (PubChem CID 18579418) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
PubChem CID18579418
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(SCc3ccc(C)cc3)c2=O)cc1OC
InChIInChI=1S/C20H20N2O3S/c1-14-4-6-15(7-5-14)13-26-19-20(23)22(11-10-21-19)16-8-9-17(24-2)18(12-16)25-3/h4-12H,13H2,1-3H3
InChIKeyDHHRVSDSNKWONJ-UHFFFAOYSA-N
XLogP3.85
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazin-2-one
CID 46337638
[1-[4-(3-benzylsulfanyl-2-oxopyrazin-1-yl)-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate
CID 143814751
1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 20942000
3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one
CID 46337695
3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337703
2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941785
1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 46337692
1-(3-chloro-4-methoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 30631331
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
CID 42553785
1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 7386613
3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one
CID 18579495
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956698

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one (CID 18579418) is 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one is COc1ccc(-n2ccnc(SCc3ccc(C)cc3)c2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one?
The InChIKey is DHHRVSDSNKWONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-4-6-15(7-5-14)13-26-19-20(23)22(11-10-21-19)16-8-9-17(24-2)18(12-16)25-3/h4-12H,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one?
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one has a molecular weight of 368.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one is sourced from PubChem (CID 18579418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).