2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide

C20H19N3O3S — CID 121050323

IUPAC2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(SC)cc3)n2)cc1
InChIInChI=1S/C20H19N3O3S/c1-26-16-7-3-14(4-8-16)18-11-12-20(25)23(22-18)13-19(24)21-15-5-9-17(27-2)10-6-15/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyLLQAMGMPFOOAQG-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.28
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 121050323) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
PubChem CID121050323
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(SC)cc3)n2)cc1
InChIInChI=1S/C20H19N3O3S/c1-26-16-7-3-14(4-8-16)18-11-12-20(25)23(22-18)13-19(24)21-15-5-9-17(27-2)10-6-15/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyLLQAMGMPFOOAQG-UHFFFAOYSA-N
XLogP3.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
N-(4-methylsulfanylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052732
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334
ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052686

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide (CID 121050323) is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(SC)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is LLQAMGMPFOOAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-26-16-7-3-14(4-8-16)18-11-12-20(25)23(22-18)13-19(24)21-15-5-9-17(27-2)10-6-15/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide?
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 121050323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).