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

C22H34N2O3S — CID 26413325

IUPACN-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)c(C)c1
InChIInChI=1S/C22H34N2O3S/c1-17-10-11-21(18(2)16-17)28(26,27)24-14-12-19(13-15-24)22(25)23-20-8-6-4-3-5-7-9-20/h10-11,16,19-20H,3-9,12-15H2,1-2H3,(H,23,25)
InChIKeyMDIBXDKRCPAXRN-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.93
Rot. Bonds4

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

N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26413325) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26413325
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC NameN-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)c(C)c1
InChIInChI=1S/C22H34N2O3S/c1-17-10-11-21(18(2)16-17)28(26,27)24-14-12-19(13-15-24)22(25)23-20-8-6-4-3-5-7-9-20/h10-11,16,19-20H,3-9,12-15H2,1-2H3,(H,23,25)
InChIKeyMDIBXDKRCPAXRN-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26413325) is N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)c(C)c1.
What is the InChIKey of N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MDIBXDKRCPAXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-17-10-11-21(18(2)16-17)28(26,27)24-14-12-19(13-15-24)22(25)23-20-8-6-4-3-5-7-9-20/h10-11,16,19-20H,3-9,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 406.59 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26413325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).