3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one

C24H20N2O4S — CID 42585197

IUPAC3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one
SMILESCOc1ccc(C(=O)CSc2nccn(-c3cccc4ccccc34)c2=O)cc1OC
InChIInChI=1S/C24H20N2O4S/c1-29-21-11-10-17(14-22(21)30-2)20(27)15-31-23-24(28)26(13-12-25-23)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,15H2,1-2H3
InChIKeyUDJWVUPKWHACOC-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.38
Rot. Bonds7

About 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one (PubChem CID 42585197) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one
PubChem CID42585197
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one
SMILESCOc1ccc(C(=O)CSc2nccn(-c3cccc4ccccc34)c2=O)cc1OC
InChIInChI=1S/C24H20N2O4S/c1-29-21-11-10-17(14-22(21)30-2)20(27)15-31-23-24(28)26(13-12-25-23)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,15H2,1-2H3
InChIKeyUDJWVUPKWHACOC-UHFFFAOYSA-N
XLogP4.38
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one
CID 92873122
3-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16538578
3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one
CID 18579495
2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7386575
N-(2,4-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16832648
1-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 33297170
N-(3,4-dimethoxyphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18591777
3-[2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide
CID 51363244
N-(2-methoxyphenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
CID 5275167
3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16532138
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 18579418
N-benzyl-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941994

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one (CID 42585197) is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one is COc1ccc(C(=O)CSc2nccn(-c3cccc4ccccc34)c2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one?
The InChIKey is UDJWVUPKWHACOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-29-21-11-10-17(14-22(21)30-2)20(27)15-31-23-24(28)26(13-12-25-23)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,15H2,1-2H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one?
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one has a molecular weight of 432.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-naphthalen-1-ylpyrazin-2-one is sourced from PubChem (CID 42585197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).