N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C18H17N3OS2 — CID 12006200

IUPACN-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(-c3cccs3)nn2)c1
InChIInChI=1S/C18H17N3OS2/c1-12-5-6-13(2)15(10-12)19-17(22)11-24-18-8-7-14(20-21-18)16-4-3-9-23-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyJXCHBIBXTHFPRJ-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.55
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 12006200) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID12006200
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(-c3cccs3)nn2)c1
InChIInChI=1S/C18H17N3OS2/c1-12-5-6-13(2)15(10-12)19-17(22)11-24-18-8-7-14(20-21-18)16-4-3-9-23-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyJXCHBIBXTHFPRJ-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 12006200) is N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is Cc1ccc(C)c(NC(=O)CSc2ccc(-c3cccs3)nn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is JXCHBIBXTHFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-12-5-6-13(2)15(10-12)19-17(22)11-24-18-8-7-14(20-21-18)16-4-3-9-23-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 355.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 12006200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).