N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide

C16H25N3O3S — CID 77084725

IUPACN-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-19(2)23(21,22)11-10-18-16(20)14-7-5-13(6-8-14)15-4-3-9-17-12-15/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyUWUULLBFJQBLCZ-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.77
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide

N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide (PubChem CID 77084725) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
PubChem CID77084725
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-19(2)23(21,22)11-10-18-16(20)14-7-5-13(6-8-14)15-4-3-9-17-12-15/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyUWUULLBFJQBLCZ-UHFFFAOYSA-N
XLogP0.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
N-[2-(dimethylsulfamoyl)ethyl]-2-piperidin-3-ylacetamide
CID 106337529
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
CID 99928855
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97207201

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide (CID 77084725) is N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide is CN(C)S(=O)(=O)CCNC(=O)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide?
The InChIKey is UWUULLBFJQBLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-19(2)23(21,22)11-10-18-16(20)14-7-5-13(6-8-14)15-4-3-9-17-12-15/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide?
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 77084725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).