N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H28N2O4S — CID 133167683

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C20H28N2O4S/c1-26-17-4-6-18(7-5-17)27(24,25)22-10-8-15(9-11-22)20(23)21-19-13-14-2-3-16(19)12-14/h4-7,14-16,19H,2-3,8-13H2,1H3,(H,21,23)
InChIKeyXQCICNNXSGWGNY-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.40
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 133167683) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID133167683
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C20H28N2O4S/c1-26-17-4-6-18(7-5-17)27(24,25)22-10-8-15(9-11-22)20(23)21-19-13-14-2-3-16(19)12-14/h4-7,14-16,19H,2-3,8-13H2,1H3,(H,21,23)
InChIKeyXQCICNNXSGWGNY-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765425
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765426
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95118913
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 120946639
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 133167683) is N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC4CCC3C4)CC2)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XQCICNNXSGWGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-26-17-4-6-18(7-5-17)27(24,25)22-10-8-15(9-11-22)20(23)21-19-13-14-2-3-16(19)12-14/h4-7,14-16,19H,2-3,8-13H2,1H3,(H,21,23).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 133167683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).