N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C24H34N2O3S — CID 26910619

IUPACN-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c(C)c1
InChIInChI=1S/C24H34N2O3S/c1-16-3-4-22(17(2)9-16)30(28,29)26-7-5-21(6-8-26)23(27)25-24-13-18-10-19(14-24)12-20(11-18)15-24/h3-4,9,18-21H,5-8,10-15H2,1-2H3,(H,25,27)
InChIKeySIFPFSXBIUSPPE-UHFFFAOYSA-N
MW430.61 g/mol
LogP3.79
Rot. Bonds4

About N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26910619) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26910619
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c(C)c1
InChIInChI=1S/C24H34N2O3S/c1-16-3-4-22(17(2)9-16)30(28,29)26-7-5-21(6-8-26)23(27)25-24-13-18-10-19(14-24)12-20(11-18)15-24/h3-4,9,18-21H,5-8,10-15H2,1-2H3,(H,25,27)
InChIKeySIFPFSXBIUSPPE-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902
N-(cyclohexylmethyl)-1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 24241093
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26413325
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387
N-Cycloheptyl-1-((2,4-dimethylphenyl)sulfonyl)piperidine-4-carboxamide
CID 26711777
N-(cyclohexylmethyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 30726432
1-(2,4-dimethylphenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 45724855
N-cyclopentyl-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 1090888
N-isopentyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 2207161

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26910619) is N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c(C)c1.
What is the InChIKey of N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SIFPFSXBIUSPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-16-3-4-22(17(2)9-16)30(28,29)26-7-5-21(6-8-26)23(27)25-24-13-18-10-19(14-24)12-20(11-18)15-24/h3-4,9,18-21H,5-8,10-15H2,1-2H3,(H,25,27).
What are the key properties of N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 430.61 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26910619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).