2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide

C17H15N3O2S — CID 7207115

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C17H15N3O2S/c1-12-4-6-13(7-5-12)18-16(21)11-23-17-9-8-14(19-20-17)15-3-2-10-22-15/h2-10H,11H2,1H3,(H,18,21)
InChIKeyMMOCOYWQCYZCPT-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.78
Rot. Bonds5

About 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 7207115) 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-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID7207115
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C17H15N3O2S/c1-12-4-6-13(7-5-12)18-16(21)11-23-17-9-8-14(19-20-17)15-3-2-10-22-15/h2-10H,11H2,1H3,(H,18,21)
InChIKeyMMOCOYWQCYZCPT-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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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 7207115) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is MMOCOYWQCYZCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12-4-6-13(7-5-12)18-16(21)11-23-17-9-8-14(19-20-17)15-3-2-10-22-15/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-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-(4-methylphenyl)acetamide is sourced from PubChem (CID 7207115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).