2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide

C17H15N3O2S — CID 7207114

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C17H15N3O2S/c1-12-4-2-5-13(10-12)18-16(21)11-23-17-8-7-14(19-20-17)15-6-3-9-22-15/h2-10H,11H2,1H3,(H,18,21)
InChIKeyVYTUMEJQBJRYBJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.78
Rot. Bonds5

About 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 7207114) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID7207114
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C17H15N3O2S/c1-12-4-2-5-13(10-12)18-16(21)11-23-17-8-7-14(19-20-17)15-6-3-9-22-15/h2-10H,11H2,1H3,(H,18,21)
InChIKeyVYTUMEJQBJRYBJ-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(Furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 6624069
3-[(2-Fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207095
N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207099
N-cyclopentyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207106
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7207115
1-(Azepan-1-yl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone
CID 7207196
N-(3-(6-methoxypyridazin-3-yl)phenyl)furan-2-carboxamide
CID 7593506
N-Furan-2-ylmethyl-2-[6-(4-methoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 644447
N-(furan-2-ylmethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228000
3-Benzylsulfanyl-6-(furan-2-yl)pyridazine
CID 6624186
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 6624223
3-[(3-Fluorophenyl)methylthio]-6-(2-furanyl)pyridazine
CID 7207093

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide (CID 7207114) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is VYTUMEJQBJRYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12-4-2-5-13(10-12)18-16(21)11-23-17-8-7-14(19-20-17)15-6-3-9-22-15/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 7207114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).