N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

C19H16N4O2S — CID 7207435

IUPACN-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1
InChIInChI=1S/C19H16N4O2S/c1-13(24)14-5-4-6-15(11-14)21-18(25)12-26-19-9-8-17(22-23-19)16-7-2-3-10-20-16/h2-11H,12H2,1H3,(H,21,25)
InChIKeyANTJBGLRNQPMBG-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.47
Rot. Bonds6

About N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207435) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207435
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1
InChIInChI=1S/C19H16N4O2S/c1-13(24)14-5-4-6-15(11-14)21-18(25)12-26-19-9-8-17(22-23-19)16-7-2-3-10-20-16/h2-11H,12H2,1H3,(H,21,25)
InChIKeyANTJBGLRNQPMBG-UHFFFAOYSA-N
XLogP3.47
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-acetylphenyl)-2-(6-pyridin-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-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207435) is N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is ANTJBGLRNQPMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13(24)14-5-4-6-15(11-14)21-18(25)12-26-19-9-8-17(22-23-19)16-7-2-3-10-20-16/h2-11H,12H2,1H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 364.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).