N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C26H26N4O4S — CID 31289877

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)CCC2=O)c1
InChIInChI=1S/C26H26N4O4S/c1-19-7-6-10-22(17-19)30-25(31)16-15-24(28-30)26(32)27-21-11-13-23(14-12-21)35(33,34)29(2)18-20-8-4-3-5-9-20/h3-14,17H,15-16,18H2,1-2H3,(H,27,32)
InChIKeyUMWMYTYEEAHSPH-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.94
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 31289877) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID31289877
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)CCC2=O)c1
InChIInChI=1S/C26H26N4O4S/c1-19-7-6-10-22(17-19)30-25(31)16-15-24(28-30)26(32)27-21-11-13-23(14-12-21)35(33,34)29(2)18-20-8-4-3-5-9-20/h3-14,17H,15-16,18H2,1-2H3,(H,27,32)
InChIKeyUMWMYTYEEAHSPH-UHFFFAOYSA-N
XLogP3.94
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 31493862
N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5135964
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398
N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30249845
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
N-[2-(dimethylcarbamoyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55613221
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 52583608
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 134016651

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 31289877) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)CCC2=O)c1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is UMWMYTYEEAHSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-19-7-6-10-22(17-19)30-25(31)16-15-24(28-30)26(32)27-21-11-13-23(14-12-21)35(33,34)29(2)18-20-8-4-3-5-9-20/h3-14,17H,15-16,18H2,1-2H3,(H,27,32).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 31289877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).