N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

C18H17N3O4S — CID 7207135

IUPACN-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-23-15-7-5-12(10-16(15)24-2)19-17(22)11-26-18-8-6-13(20-21-18)14-4-3-9-25-14/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyJGYOPPKJODCNEG-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.48
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207135) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207135
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-23-15-7-5-12(10-16(15)24-2)19-17(22)11-26-18-8-6-13(20-21-18)14-4-3-9-25-14/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyJGYOPPKJODCNEG-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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Related Compounds

N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207099
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7207115
2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
CID 646481
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 6624223
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 7207110
N-(3,5-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207118
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7207131
N-(2,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207138
N-(2,5-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207139
N-(2-ethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207142
N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207150
N-(4-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207152

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207135) is N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JGYOPPKJODCNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-15-7-5-12(10-16(15)24-2)19-17(22)11-26-18-8-6-13(20-21-18)14-4-3-9-25-14/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).