5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide

C26H36N4O3S — CID 55673941

IUPAC5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cccc(CN3CCCCC3)c2)c1
InChIInChI=1S/C26H36N4O3S/c1-28(2)34(32,33)23-12-13-25(30-16-7-4-8-17-30)24(19-23)26(31)27-22-11-9-10-21(18-22)20-29-14-5-3-6-15-29/h9-13,18-19H,3-8,14-17,20H2,1-2H3,(H,27,31)
InChIKeyKFHPHZYTUYNTGE-UHFFFAOYSA-N
MW484.67 g/mol
LogP4.17
Rot. Bonds7

About 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 55673941) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID55673941
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC Name5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cccc(CN3CCCCC3)c2)c1
InChIInChI=1S/C26H36N4O3S/c1-28(2)34(32,33)23-12-13-25(30-16-7-4-8-17-30)24(19-23)26(31)27-22-11-9-10-21(18-22)20-29-14-5-3-6-15-29/h9-13,18-19H,3-8,14-17,20H2,1-2H3,(H,27,31)
InChIKeyKFHPHZYTUYNTGE-UHFFFAOYSA-N
XLogP4.17
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
N-[4-[benzyl(methyl)amino]phenyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 60536402
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide
CID 55812160
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55971669
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 31737983
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
5-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55962545

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide (CID 55673941) is 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cccc(CN3CCCCC3)c2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is KFHPHZYTUYNTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-28(2)34(32,33)23-12-13-25(30-16-7-4-8-17-30)24(19-23)26(31)27-22-11-9-10-21(18-22)20-29-14-5-3-6-15-29/h9-13,18-19H,3-8,14-17,20H2,1-2H3,(H,27,31).
What are the key properties of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide?
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 484.67 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55673941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).