N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C18H17N3O3S — CID 644447

IUPACN-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1
InChIInChI=1S/C18H17N3O3S/c1-23-14-6-4-13(5-7-14)16-8-9-18(21-20-16)25-12-17(22)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyGAGWWGMLBIOJIK-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.15
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 644447) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID644447
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1
InChIInChI=1S/C18H17N3O3S/c1-23-14-6-4-13(5-7-14)16-8-9-18(21-20-16)25-12-17(22)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyGAGWWGMLBIOJIK-UHFFFAOYSA-N
XLogP3.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 644447) is N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is GAGWWGMLBIOJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-14-6-4-13(5-7-14)16-8-9-18(21-20-16)25-12-17(22)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 644447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).