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

C18H17N3O2S — CID 7207184

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)NCCc1ccccc1
InChIInChI=1S/C18H17N3O2S/c22-17(19-11-10-14-5-2-1-3-6-14)13-24-18-9-8-15(20-21-18)16-7-4-12-23-16/h1-9,12H,10-11,13H2,(H,19,22)
InChIKeyVHRPIOPOPUMOHY-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.19
Rot. Bonds7

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

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 7207184) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID7207184
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)NCCc1ccccc1
InChIInChI=1S/C18H17N3O2S/c22-17(19-11-10-14-5-2-1-3-6-14)13-24-18-9-8-15(20-21-18)16-7-4-12-23-16/h1-9,12H,10-11,13H2,(H,19,22)
InChIKeyVHRPIOPOPUMOHY-UHFFFAOYSA-N
XLogP3.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.19
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-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 7207184) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1ccc(-c2ccco2)nn1)NCCc1ccccc1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is VHRPIOPOPUMOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(19-11-10-14-5-2-1-3-6-14)13-24-18-9-8-15(20-21-18)16-7-4-12-23-16/h1-9,12H,10-11,13H2,(H,19,22).
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.19, 7 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 7207184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).