N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

C24H31N3O4S — CID 46476979

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C24H31N3O4S/c1-24(2,3)23(29)27-16-14-19(15-17-27)25-22(28)18-10-12-21(13-11-18)32(30,31)26(4)20-8-6-5-7-9-20/h5-13,19H,14-17H2,1-4H3,(H,25,28)
InChIKeyDXLIEDDVHANYPZ-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 46476979) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID46476979
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C24H31N3O4S/c1-24(2,3)23(29)27-16-14-19(15-17-27)25-22(28)18-10-12-21(13-11-18)32(30,31)26(4)20-8-6-5-7-9-20/h5-13,19H,14-17H2,1-4H3,(H,25,28)
InChIKeyDXLIEDDVHANYPZ-UHFFFAOYSA-N
XLogP3.28
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119457671
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 55699978
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 7440122
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
4-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55501544
4-[methyl(phenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46564955
N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 8855715

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 46476979) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is DXLIEDDVHANYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-24(2,3)23(29)27-16-14-19(15-17-27)25-22(28)18-10-12-21(13-11-18)32(30,31)26(4)20-8-6-5-7-9-20/h5-13,19H,14-17H2,1-4H3,(H,25,28).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 457.60 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46476979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).