3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one

C19H17ClN2O2S — CID 42553785

IUPAC3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(SCc3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-2-24-17-9-7-16(8-10-17)22-12-11-21-18(19(22)23)25-13-14-3-5-15(20)6-4-14/h3-12H,2,13H2,1H3
InChIKeyVJTCVUYBPJCTBN-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.58
Rot. Bonds6

About 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one

3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one (PubChem CID 42553785) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
PubChem CID42553785
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(SCc3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-2-24-17-9-7-16(8-10-17)22-12-11-21-18(19(22)23)25-13-14-3-5-15(20)6-4-14/h3-12H,2,13H2,1H3
InChIKeyVJTCVUYBPJCTBN-UHFFFAOYSA-N
XLogP4.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 7386613
3-[(3-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
CID 42553786
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)pyrazin-2-one
CID 16824560
3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337703
3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazin-2-one
CID 46337638
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 18579419
4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 18579418
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18579519
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
3-benzylsulfanyl-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110570683

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one (CID 42553785) is 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one is CCOc1ccc(-n2ccnc(SCc3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one?
The InChIKey is VJTCVUYBPJCTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-2-24-17-9-7-16(8-10-17)22-12-11-21-18(19(22)23)25-13-14-3-5-15(20)6-4-14/h3-12H,2,13H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one?
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one has a molecular weight of 372.88 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 42553785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).