N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C18H17N3O2S2 — CID 6623992

IUPACN-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccc(-c2cccs2)nn1
InChIInChI=1S/C18H17N3O2S2/c1-2-23-15-7-4-3-6-13(15)19-17(22)12-25-18-10-9-14(20-21-18)16-8-5-11-24-16/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyUYBWJWBKSWQWHG-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.33
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 6623992) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID6623992
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccc(-c2cccs2)nn1
InChIInChI=1S/C18H17N3O2S2/c1-2-23-15-7-4-3-6-13(15)19-17(22)12-25-18-10-9-14(20-21-18)16-8-5-11-24-16/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyUYBWJWBKSWQWHG-UHFFFAOYSA-N
XLogP4.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 6623992) is N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1ccc(-c2cccs2)nn1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is UYBWJWBKSWQWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-2-23-15-7-4-3-6-13(15)19-17(22)12-25-18-10-9-14(20-21-18)16-8-5-11-24-16/h3-11H,2,12H2,1H3,(H,19,22).
What are the key properties of N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 371.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 6623992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).