N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C20H19N3O4S — CID 55872759

IUPACN-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H19N3O4S/c1-2-28(26,27)18-11-7-6-10-17(18)21-19(24)14-23-20(25)13-12-16(22-23)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyNTMVCBDJGXXSMP-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.34
Rot. Bonds6

About N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55872759) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID55872759
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H19N3O4S/c1-2-28(26,27)18-11-7-6-10-17(18)21-19(24)14-23-20(25)13-12-16(22-23)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyNTMVCBDJGXXSMP-UHFFFAOYSA-N
XLogP2.34
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874219
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121050608
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
4-chloro-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55877331
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050081

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55872759) is N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCS(=O)(=O)c1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is NTMVCBDJGXXSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-2-28(26,27)18-11-7-6-10-17(18)21-19(24)14-23-20(25)13-12-16(22-23)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,24).
What are the key properties of N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55872759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).