2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide

C16H16N4O4S — CID 9309209

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2S(C)(=O)=O)c(=O)c(C#N)c1C
InChIInChI=1S/C16H16N4O4S/c1-10-11(2)19-20(16(22)12(10)8-17)9-15(21)18-13-6-4-5-7-14(13)25(3,23)24/h4-7H,9H2,1-3H3,(H,18,21)
InChIKeyVHAHDNWZFGLESE-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.77
Rot. Bonds4

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 9309209) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
PubChem CID9309209
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2S(C)(=O)=O)c(=O)c(C#N)c1C
InChIInChI=1S/C16H16N4O4S/c1-10-11(2)19-20(16(22)12(10)8-17)9-15(21)18-13-6-4-5-7-14(13)25(3,23)24/h4-7H,9H2,1-3H3,(H,18,21)
InChIKeyVHAHDNWZFGLESE-UHFFFAOYSA-N
XLogP0.77
TPSA121.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8537513
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 8537519
2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 24585036
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
3-[2-(2-methylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16611098
dimethyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8537509
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18272367
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide
CID 18202883
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 38979073
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8894663
N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 9354097
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8538150

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide (CID 9309209) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide is Cc1nn(CC(=O)Nc2ccccc2S(C)(=O)=O)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is VHAHDNWZFGLESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-10-11(2)19-20(16(22)12(10)8-17)9-15(21)18-13-6-4-5-7-14(13)25(3,23)24/h4-7H,9H2,1-3H3,(H,18,21).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 360.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9309209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).