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

C16H13N3O2S — CID 7207110

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-15(17-12-5-2-1-3-6-12)11-22-16-9-8-13(18-19-16)14-7-4-10-21-14/h1-10H,11H2,(H,17,20)
InChIKeyCNYWYYPTPREXIJ-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds5

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

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide (PubChem CID 7207110) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
PubChem CID7207110
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-15(17-12-5-2-1-3-6-12)11-22-16-9-8-13(18-19-16)14-7-4-10-21-14/h1-10H,11H2,(H,17,20)
InChIKeyCNYWYYPTPREXIJ-UHFFFAOYSA-N
XLogP3.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
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-phenylacetamide?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide (CID 7207110) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide is O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide?
The InChIKey is CNYWYYPTPREXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15(17-12-5-2-1-3-6-12)11-22-16-9-8-13(18-19-16)14-7-4-10-21-14/h1-10H,11H2,(H,17,20).
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 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-phenylacetamide is sourced from PubChem (CID 7207110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).