N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

C24H35N3O3S — CID 25466548

IUPACN-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H35N3O3S/c1-26(2)31(29,30)20-6-7-22(27-8-4-3-5-9-27)21(13-20)23(28)25-24-14-17-10-18(15-24)12-19(11-17)16-24/h6-7,13,17-19H,3-5,8-12,14-16H2,1-2H3,(H,25,28)
InChIKeyXNMFYEVXOQSZPO-UHFFFAOYSA-N
MW445.63 g/mol
LogP3.63
Rot. Bonds5

About N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (PubChem CID 25466548) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
PubChem CID25466548
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC NameN-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H35N3O3S/c1-26(2)31(29,30)20-6-7-22(27-8-4-3-5-9-27)21(13-20)23(28)25-24-14-17-10-18(15-24)12-19(11-17)16-24/h6-7,13,17-19H,3-5,8-12,14-16H2,1-2H3,(H,25,28)
InChIKeyXNMFYEVXOQSZPO-UHFFFAOYSA-N
XLogP3.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide
CID 119427536
N-(1-adamantyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 7732546
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
N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 30274722
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (CID 25466548) is N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The InChIKey is XNMFYEVXOQSZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-26(2)31(29,30)20-6-7-22(27-8-4-3-5-9-27)21(13-20)23(28)25-24-14-17-10-18(15-24)12-19(11-17)16-24/h6-7,13,17-19H,3-5,8-12,14-16H2,1-2H3,(H,25,28).
What are the key properties of N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide has a molecular weight of 445.63 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 25466548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).