N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

C18H14N4O3S — CID 20900488

IUPACN-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O3S/c23-17(20-12-4-6-15-16(9-12)25-11-24-15)10-26-18-7-5-14(21-22-18)13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,23)
InChIKeyQLYWHZKFQCJIEI-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.00
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 20900488) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID20900488
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O3S/c23-17(20-12-4-6-15-16(9-12)25-11-24-15)10-26-18-7-5-14(21-22-18)13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,23)
InChIKeyQLYWHZKFQCJIEI-UHFFFAOYSA-N
XLogP3.00
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 20900488) is N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is QLYWHZKFQCJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c23-17(20-12-4-6-15-16(9-12)25-11-24-15)10-26-18-7-5-14(21-22-18)13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 366.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 20900488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).