2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide

C22H23N3O3S — CID 7672932

IUPAC2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(OC)c(-c2ccc(SCC(=O)NCCc3ccccc3)nn2)c1
InChIInChI=1S/C22H23N3O3S/c1-27-17-8-10-20(28-2)18(14-17)19-9-11-22(25-24-19)29-15-21(26)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyCXFYFQRJLVNTME-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.61
Rot. Bonds9

About 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide

2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 7672932) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID7672932
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(OC)c(-c2ccc(SCC(=O)NCCc3ccccc3)nn2)c1
InChIInChI=1S/C22H23N3O3S/c1-27-17-8-10-20(28-2)18(14-17)19-9-11-22(25-24-19)29-15-21(26)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyCXFYFQRJLVNTME-UHFFFAOYSA-N
XLogP3.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 8699651
N-[2-(4-methoxyphenyl)ethyl]-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916764
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8699519
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936648
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 43952699
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 8699580
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
CID 18573837
N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672792
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667335
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573205
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 17288834

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 7672932) is 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide is COc1ccc(OC)c(-c2ccc(SCC(=O)NCCc3ccccc3)nn2)c1.
What is the InChIKey of 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is CXFYFQRJLVNTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-27-17-8-10-20(28-2)18(14-17)19-9-11-22(25-24-19)29-15-21(26)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7672932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).