2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide

C20H19N3O4S — CID 30849539

IUPAC2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)c1
InChIInChI=1S/C20H19N3O4S/c1-14-10-15(2)12-16(11-14)21-18(24)13-23-20(25)9-8-19(22-23)28(26,27)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyOUTWVVZGTUCVDU-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide

2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 30849539) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID30849539
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)c1
InChIInChI=1S/C20H19N3O4S/c1-14-10-15(2)12-16(11-14)21-18(24)13-23-20(25)9-8-19(22-23)28(26,27)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyOUTWVVZGTUCVDU-UHFFFAOYSA-N
XLogP2.33
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 2543092
N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224442
N-(2,5-difluorophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849543
2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 42585736
2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27542826
2-(4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl)-N-(3-ethylphenyl)acetamide
CID 30844918
N-(4-bromo-3-methylphenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849545
2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]-N-(2,4-dimethylphenyl)acetamide
CID 42585731
N-(2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)-3-(phenylsulfonyl)propanamide
CID 71805058
N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224414
2-[3-(Benzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2,4-difluorophenyl)acetamide
CID 30849537
N-(2-fluorophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849538

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide (CID 30849539) is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is OUTWVVZGTUCVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-10-15(2)12-16(11-14)21-18(24)13-23-20(25)9-8-19(22-23)28(26,27)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 30849539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).