N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C18H17N3O3S2 — CID 7207136

IUPACN-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c(OC)c1
InChIInChI=1S/C18H17N3O3S2/c1-23-12-5-6-13(15(10-12)24-2)19-17(22)11-26-18-8-7-14(20-21-18)16-4-3-9-25-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyVGLCKYWBROIYPU-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.95
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207136) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207136
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c(OC)c1
InChIInChI=1S/C18H17N3O3S2/c1-23-12-5-6-13(15(10-12)24-2)19-17(22)11-26-18-8-7-14(20-21-18)16-4-3-9-25-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyVGLCKYWBROIYPU-UHFFFAOYSA-N
XLogP3.95
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194085
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 7222583
N-(4-methoxyphenyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 16019264
N-(2,5-Dimethoxyphenyl)-2-{[6-(thiophen-2-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 16019266
N-(3,4-Dimethoxyphenyl)-2-{[6-(thiophen-2-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 20900443
N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 6623992
N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207260
N-(2,4-dimethoxyphenyl)-2-(4-methylphthalazinylthio)acetamide
CID 16456210
N-(2-Methoxy-5-methylphenyl)-2-{[6-(thiophen-2-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 20900465
2-((6-acetamidopyridazin-3-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide
CID 42138913
N-(6-((2-((2,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)thiophene-2-carboxamide
CID 42139450
N-(2,4-dimethoxyphenyl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)acetamide
CID 7502825

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207136) is N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is VGLCKYWBROIYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-23-12-5-6-13(15(10-12)24-2)19-17(22)11-26-18-8-7-14(20-21-18)16-4-3-9-25-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 387.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).