N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide

C20H19N3O4S — CID 18567805

IUPACN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O4S/c1-2-28(25,26)20-12-11-18(22-23-20)15-7-6-8-16(13-15)21-19(24)14-27-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyYLPGHTZUZAZWJJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.95
Rot. Bonds7

About N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide

N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide (PubChem CID 18567805) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
PubChem CID18567805
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O4S/c1-2-28(25,26)20-12-11-18(22-23-20)15-7-6-8-16(13-15)21-19(24)14-27-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyYLPGHTZUZAZWJJ-UHFFFAOYSA-N
XLogP2.95
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide 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-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide (CID 18567805) is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide is CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccccc3)c2)nn1.
What is the InChIKey of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is YLPGHTZUZAZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-2-28(25,26)20-12-11-18(22-23-20)15-7-6-8-16(13-15)21-19(24)14-27-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,24).
What are the key properties of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide?
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 397.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 18567805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).