5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide

C19H30N4O3S — CID 119427536

IUPAC5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C19H30N4O3S/c1-22(2)27(25,26)16-8-9-18(23-11-4-3-5-12-23)17(13-16)19(24)21-15-7-6-10-20-14-15/h8-9,13,15,20H,3-7,10-12,14H2,1-2H3,(H,21,24)
InChIKeyLYLDALFGCUZUAL-UHFFFAOYSA-N
MW394.54 g/mol
LogP1.41
Rot. Bonds5

About 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide (PubChem CID 119427536) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide
PubChem CID119427536
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Name5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C19H30N4O3S/c1-22(2)27(25,26)16-8-9-18(23-11-4-3-5-12-23)17(13-16)19(24)21-15-7-6-10-20-14-15/h8-9,13,15,20H,3-7,10-12,14H2,1-2H3,(H,21,24)
InChIKeyLYLDALFGCUZUAL-UHFFFAOYSA-N
XLogP1.41
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide
CID 119429055
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587
2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride
CID 119428703
5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide
CID 112822454
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 39952249
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 25466548
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide (CID 119427536) is 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC2CCCNC2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide?
The InChIKey is LYLDALFGCUZUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-22(2)27(25,26)16-8-9-18(23-11-4-3-5-12-23)17(13-16)19(24)21-15-7-6-10-20-14-15/h8-9,13,15,20H,3-7,10-12,14H2,1-2H3,(H,21,24).
What are the key properties of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide?
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119427536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).