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

C19H17ClN2O2S — CID 46337695

IUPAC3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one
SMILESCOc1ccc(C)cc1-n1ccnc(SCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H17ClN2O2S/c1-13-6-7-17(24-2)16(10-13)22-9-8-21-18(19(22)23)25-12-14-4-3-5-15(20)11-14/h3-11H,12H2,1-2H3
InChIKeyBXHOCDAQAUJEPT-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.50
Rot. Bonds5

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

3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one (PubChem CID 46337695) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one
PubChem CID46337695
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one
SMILESCOc1ccc(C)cc1-n1ccnc(SCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H17ClN2O2S/c1-13-6-7-17(24-2)16(10-13)22-9-8-21-18(19(22)23)25-12-14-4-3-5-15(20)11-14/h3-11H,12H2,1-2H3
InChIKeyBXHOCDAQAUJEPT-UHFFFAOYSA-N
XLogP4.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 46337692
3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one
CID 18579495
1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 20942000
3-[(3-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
CID 42553786
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
2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7386575
1-(3-chloro-4-methoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 30631331
2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 18579443
2-[(3-chlorophenyl)methylsulfanyl]-3-(2,5-dimethoxyphenyl)quinazolin-4-one
CID 51365494
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one
CID 42585197
3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazin-2-one
CID 46337638

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one (CID 46337695) is 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one is COc1ccc(C)cc1-n1ccnc(SCc2cccc(Cl)c2)c1=O.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one?
The InChIKey is BXHOCDAQAUJEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-13-6-7-17(24-2)16(10-13)22-9-8-21-18(19(22)23)25-12-14-4-3-5-15(20)11-14/h3-11H,12H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one?
3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one has a molecular weight of 372.88 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfanyl]-1-(2-methoxy-5-methylphenyl)pyrazin-2-one is sourced from PubChem (CID 46337695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).