N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C25H27N5O4S — CID 121070751

IUPACN-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1
InChIInChI=1S/C25H27N5O4S/c1-17-6-3-4-8-22(17)23-13-14-24(28-27-23)30-15-5-7-19(16-30)25(32)26-20-9-11-21(12-10-20)35(33,34)29-18(2)31/h3-4,6,8-14,19H,5,7,15-16H2,1-2H3,(H,26,32)(H,29,31)
InChIKeyMHDZSXLHZNCFRE-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.13
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121070751) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121070751
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1
InChIInChI=1S/C25H27N5O4S/c1-17-6-3-4-8-22(17)23-13-14-24(28-27-23)30-15-5-7-19(16-30)25(32)26-20-9-11-21(12-10-20)35(33,34)29-18(2)31/h3-4,6,8-14,19H,5,7,15-16H2,1-2H3,(H,26,32)(H,29,31)
InChIKeyMHDZSXLHZNCFRE-UHFFFAOYSA-N
XLogP3.13
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025005
N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070715
ethyl 4-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121070672
N-(2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070656
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 121071634
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071826
N-(2,4-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070657
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121070751) is N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is MHDZSXLHZNCFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-17-6-3-4-8-22(17)23-13-14-24(28-27-23)30-15-5-7-19(16-30)25(32)26-20-9-11-21(12-10-20)35(33,34)29-18(2)31/h3-4,6,8-14,19H,5,7,15-16H2,1-2H3,(H,26,32)(H,29,31).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121070751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).