N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C21H21N3O3S — CID 7502860

IUPACN-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccc(-c2cccc(OC)c2)nn1
InChIInChI=1S/C21H21N3O3S/c1-3-27-19-10-5-4-9-18(19)22-20(25)14-28-21-12-11-17(23-24-21)15-7-6-8-16(13-15)26-2/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyBMGWQNHNFNEDFF-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.28
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7502860) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7502860
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccc(-c2cccc(OC)c2)nn1
InChIInChI=1S/C21H21N3O3S/c1-3-27-19-10-5-4-9-18(19)22-20(25)14-28-21-12-11-17(23-24-21)15-7-6-8-16(13-15)26-2/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyBMGWQNHNFNEDFF-UHFFFAOYSA-N
XLogP4.28
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-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-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7502860) is N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1ccc(-c2cccc(OC)c2)nn1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is BMGWQNHNFNEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-27-19-10-5-4-9-18(19)22-20(25)14-28-21-12-11-17(23-24-21)15-7-6-8-16(13-15)26-2/h4-13H,3,14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2-ethoxyphenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 395.48 g/mol, XLogP of 4.28, 8 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-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7502860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).