2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide

C14H15N3O2S — CID 42172344

IUPAC2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(SC)nn2)cc1
InChIInChI=1S/C14H15N3O2S/c1-19-11-5-3-10(4-6-11)9-13(18)15-12-7-8-14(20-2)17-16-12/h3-8H,9H2,1-2H3,(H,15,16,18)
InChIKeyYVWAYEUEQSYMEB-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.39
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide

2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide (PubChem CID 42172344) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide
PubChem CID42172344
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(SC)nn2)cc1
InChIInChI=1S/C14H15N3O2S/c1-19-11-5-3-10(4-6-11)9-13(18)15-12-7-8-14(20-2)17-16-12/h3-8H,9H2,1-2H3,(H,15,16,18)
InChIKeyYVWAYEUEQSYMEB-UHFFFAOYSA-N
XLogP2.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide (CID 42172344) is 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide is COc1ccc(CC(=O)Nc2ccc(SC)nn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide?
The InChIKey is YVWAYEUEQSYMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-19-11-5-3-10(4-6-11)9-13(18)15-12-7-8-14(20-2)17-16-12/h3-8H,9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide?
2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide has a molecular weight of 289.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(6-methylsulfanylpyridazin-3-yl)acetamide is sourced from PubChem (CID 42172344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).