2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

C18H17N3O3S — CID 7207264

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccco2)nn1
InChIInChI=1S/C18H17N3O3S/c1-12-5-7-15(23-2)14(10-12)19-17(22)11-25-18-8-6-13(20-21-18)16-4-3-9-24-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyJFWFLJKTZMGKNB-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.78
Rot. Bonds6

About 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 7207264) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID7207264
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccco2)nn1
InChIInChI=1S/C18H17N3O3S/c1-12-5-7-15(23-2)14(10-12)19-17(22)11-25-18-8-6-13(20-21-18)16-4-3-9-24-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyJFWFLJKTZMGKNB-UHFFFAOYSA-N
XLogP3.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 7207264) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccco2)nn1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is JFWFLJKTZMGKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-5-7-15(23-2)14(10-12)19-17(22)11-25-18-8-6-13(20-21-18)16-4-3-9-24-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 7207264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).