N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

C18H17N3O4S — CID 7207139

IUPACN-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C18H17N3O4S/c1-23-12-5-7-15(24-2)14(10-12)19-17(22)11-26-18-8-6-13(20-21-18)16-4-3-9-25-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyMSKVALZWSZVWBK-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.48
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207139) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207139
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C18H17N3O4S/c1-23-12-5-7-15(24-2)14(10-12)19-17(22)11-26-18-8-6-13(20-21-18)16-4-3-9-25-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyMSKVALZWSZVWBK-UHFFFAOYSA-N
XLogP3.48
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207139) is N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccco3)nn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is MSKVALZWSZVWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-12-5-7-15(24-2)14(10-12)19-17(22)11-26-18-8-6-13(20-21-18)16-4-3-9-25-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 371.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).