N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C21H22N4O5S — CID 55985605

IUPACN-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C21H22N4O5S/c1-24(2)31(28,29)19-11-7-6-10-17(19)22-21(27)18-12-13-20(26)25(23-18)14-15-30-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,22,27)
InChIKeyAOGOFPDVYXRHIR-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.82
Rot. Bonds8

About N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 55985605) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID55985605
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C21H22N4O5S/c1-24(2)31(28,29)19-11-7-6-10-17(19)22-21(27)18-12-13-20(26)25(23-18)14-15-30-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,22,27)
InChIKeyAOGOFPDVYXRHIR-UHFFFAOYSA-N
XLogP1.82
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
N-[2,4-di(propan-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46436516
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38661688
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55956780
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55532981
N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55855876
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 55985605) is N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CN(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is AOGOFPDVYXRHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-24(2)31(28,29)19-11-7-6-10-17(19)22-21(27)18-12-13-20(26)25(23-18)14-15-30-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55985605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).