N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C23H26N4O5S — CID 30788927

IUPACN-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C23H26N4O5S/c1-5-27(6-2)33(30,31)18-10-12-21(32-17-9-7-8-16(3)14-17)20(15-18)24-23(29)19-11-13-22(28)26(4)25-19/h7-15H,5-6H2,1-4H3,(H,24,29)
InChIKeyXOBMKINWPQOTSH-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.16
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 30788927) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID30788927
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C23H26N4O5S/c1-5-27(6-2)33(30,31)18-10-12-21(32-17-9-7-8-16(3)14-17)20(15-18)24-23(29)19-11-13-22(28)26(4)25-19/h7-15H,5-6H2,1-4H3,(H,24,29)
InChIKeyXOBMKINWPQOTSH-UHFFFAOYSA-N
XLogP3.16
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 8015664
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917
N-[2-(4-chlorophenoxy)-5-(diethylsulfamoyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574853
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
CID 42997357
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 24676491
1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
CID 16547973
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
CID 55342870
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 30788927) is N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)c2ccc(=O)n(C)n2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is XOBMKINWPQOTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-5-27(6-2)33(30,31)18-10-12-21(32-17-9-7-8-16(3)14-17)20(15-18)24-23(29)19-11-13-22(28)26(4)25-19/h7-15H,5-6H2,1-4H3,(H,24,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30788927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).