N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide

C23H19N3O2S — CID 52901306

IUPACN-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)c1
InChIInChI=1S/C23H19N3O2S/c1-29-20-8-4-7-19(14-20)24-22(27)15-26-23(28)12-11-21(25-26)18-10-9-16-5-2-3-6-17(16)13-18/h2-14H,15H2,1H3,(H,24,27)
InChIKeySSHSXLLKLUBKJS-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.42
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide

N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 52901306) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID52901306
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)c1
InChIInChI=1S/C23H19N3O2S/c1-29-20-8-4-7-19(14-20)24-22(27)15-26-23(28)12-11-21(25-26)18-10-9-16-5-2-3-6-17(16)13-18/h2-14H,15H2,1H3,(H,24,27)
InChIKeySSHSXLLKLUBKJS-UHFFFAOYSA-N
XLogP4.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 8699032
methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
CID 7664191
3-methyl-2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoic acid
CID 53368098
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
N-[(2,6-difluorophenyl)methyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051414
N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517378
N-(4-methylsulfanylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052732
ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
CID 41376478
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide
CID 121051465

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide (CID 52901306) is N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide is CSc1cccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is SSHSXLLKLUBKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-29-20-8-4-7-19(14-20)24-22(27)15-26-23(28)12-11-21(25-26)18-10-9-16-5-2-3-6-17(16)13-18/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide?
N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 401.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 52901306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).