N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide

C20H32N2O3S — CID 4958592

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-3-4-5-6-7-8-20(23)21-18-9-11-19(12-10-18)26(24,25)22-15-13-17(2)14-16-22/h9-12,17H,3-8,13-16H2,1-2H3,(H,21,23)
InChIKeyJQTXGROXSPTIKU-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.41
Rot. Bonds9

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide (PubChem CID 4958592) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
PubChem CID4958592
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-3-4-5-6-7-8-20(23)21-18-9-11-19(12-10-18)26(24,25)22-15-13-17(2)14-16-22/h9-12,17H,3-8,13-16H2,1-2H3,(H,21,23)
InChIKeyJQTXGROXSPTIKU-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4942049
3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 9428151
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
N-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]nonanamide
CID 10257535
N-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]heptanamide
CID 10302672
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide (CID 4958592) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide is CCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide?
The InChIKey is JQTXGROXSPTIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-3-4-5-6-7-8-20(23)21-18-9-11-19(12-10-18)26(24,25)22-15-13-17(2)14-16-22/h9-12,17H,3-8,13-16H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide has a molecular weight of 380.55 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide is sourced from PubChem (CID 4958592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).