N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C18H17N3O3S2 — CID 7207260

IUPACN-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc(OC)c1
InChIInChI=1S/C18H17N3O3S2/c1-23-13-8-12(9-14(10-13)24-2)19-17(22)11-26-18-6-5-15(20-21-18)16-4-3-7-25-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyIYEKVNMIBFWOTO-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.95
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207260) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207260
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc(OC)c1
InChIInChI=1S/C18H17N3O3S2/c1-23-13-8-12(9-14(10-13)24-2)19-17(22)11-26-18-6-5-15(20-21-18)16-4-3-7-25-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyIYEKVNMIBFWOTO-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207260) is N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is COc1cc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is IYEKVNMIBFWOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-23-13-8-12(9-14(10-13)24-2)19-17(22)11-26-18-6-5-15(20-21-18)16-4-3-7-25-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(3,5-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-(3,5-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).