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

C20H19N3O2S — CID 121050608

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C20H19N3O2S/c1-14-7-9-15(10-8-14)16-11-12-20(25)23(22-16)13-19(24)21-17-5-3-4-6-18(17)26-2/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyOFEQHMGTBDZZCU-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.58
Rot. Bonds5

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

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 121050608) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID121050608
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C20H19N3O2S/c1-14-7-9-15(10-8-14)16-11-12-20(25)23(22-16)13-19(24)21-17-5-3-4-6-18(17)26-2/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyOFEQHMGTBDZZCU-UHFFFAOYSA-N
XLogP3.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121049777
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 50925836
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide
CID 176729756
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 121050608) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is OFEQHMGTBDZZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-7-9-15(10-8-14)16-11-12-20(25)23(22-16)13-19(24)21-17-5-3-4-6-18(17)26-2/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 121050608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).