1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H24N4O4S — CID 26289227

IUPAC1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CCC2=O)c1
InChIInChI=1S/C21H24N4O4S/c1-14-8-9-15(2)19(12-14)25-20(26)11-10-18(23-25)21(27)22-16-6-5-7-17(13-16)30(28,29)24(3)4/h5-9,12-13H,10-11H2,1-4H3,(H,22,27)
InChIKeyIGJVMKMDCXVKAZ-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.68
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 26289227) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID26289227
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CCC2=O)c1
InChIInChI=1S/C21H24N4O4S/c1-14-8-9-15(2)19(12-14)25-20(26)11-10-18(23-25)21(27)22-16-6-5-7-17(13-16)30(28,29)24(3)4/h5-9,12-13H,10-11H2,1-4H3,(H,22,27)
InChIKeyIGJVMKMDCXVKAZ-UHFFFAOYSA-N
XLogP2.68
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8702036
1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 30249387
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 43056022
1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide
CID 55620275
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43007309
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55586186
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31289877
1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 51193079
1-(2,5-dimethylphenyl)-6-oxo-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,5-dihydropyridazine-3-carboxamide
CID 55382451

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 26289227) is 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IGJVMKMDCXVKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-8-9-15(2)19(12-14)25-20(26)11-10-18(23-25)21(27)22-16-6-5-7-17(13-16)30(28,29)24(3)4/h5-9,12-13H,10-11H2,1-4H3,(H,22,27).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 26289227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).