1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H28N4O5S — CID 55959090

IUPAC1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1
InChIInChI=1S/C22H28N4O5S/c1-16-5-3-11-23-20(16)25-21(27)18-6-4-13-26(15-18)22(28)17-7-9-19(10-8-17)32(29,30)24-12-14-31-2/h3,5,7-11,18,24H,4,6,12-15H2,1-2H3,(H,23,25,27)
InChIKeyZJTYCJAFLXXVRX-UHFFFAOYSA-N
MW460.56 g/mol
LogP1.81
Rot. Bonds8

About 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55959090) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55959090
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1
InChIInChI=1S/C22H28N4O5S/c1-16-5-3-11-23-20(16)25-21(27)18-6-4-13-26(15-18)22(28)17-7-9-19(10-8-17)32(29,30)24-12-14-31-2/h3,5,7-11,18,24H,4,6,12-15H2,1-2H3,(H,23,25,27)
InChIKeyZJTYCJAFLXXVRX-UHFFFAOYSA-N
XLogP1.81
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55957937
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 119636884
(3R)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162433
(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162435
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119091
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55959090) is 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is COCCNS(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is ZJTYCJAFLXXVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-16-5-3-11-23-20(16)25-21(27)18-6-4-13-26(15-18)22(28)17-7-9-19(10-8-17)32(29,30)24-12-14-31-2/h3,5,7-11,18,24H,4,6,12-15H2,1-2H3,(H,23,25,27).
What are the key properties of 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55959090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).