N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide

C22H37N3O4S — CID 91525905

IUPACN-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide
SMILESC=CCN(C)CCCCCCOC1CCN(S(=O)(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H37N3O4S/c1-4-15-24(2)16-7-5-6-8-19-29-22-13-17-25(18-14-22)30(26,27)23-20-9-11-21(28-3)12-10-20/h4,9-12,22-23H,1,5-8,13-19H2,2-3H3
InChIKeyDNUFWYAIDDVTDA-UHFFFAOYSA-N
MW439.62 g/mol
LogP3.51
Rot. Bonds14

About N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide

N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide (PubChem CID 91525905) has the molecular formula C22H37N3O4S and a molecular weight of 439.62 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide
PubChem CID91525905
Molecular FormulaC22H37N3O4S
Molecular Weight439.62 g/mol
Exact Mass439.25
IUPAC NameN-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide
SMILESC=CCN(C)CCCCCCOC1CCN(S(=O)(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H37N3O4S/c1-4-15-24(2)16-7-5-6-8-19-29-22-13-17-25(18-14-22)30(26,27)23-20-9-11-21(28-3)12-10-20/h4,9-12,22-23H,1,5-8,13-19H2,2-3H3
InChIKeyDNUFWYAIDDVTDA-UHFFFAOYSA-N
XLogP3.51
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.62
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide (CID 91525905) is N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide is C=CCN(C)CCCCCCOC1CCN(S(=O)(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide?
The InChIKey is DNUFWYAIDDVTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4S/c1-4-15-24(2)16-7-5-6-8-19-29-22-13-17-25(18-14-22)30(26,27)23-20-9-11-21(28-3)12-10-20/h4,9-12,22-23H,1,5-8,13-19H2,2-3H3.
What are the key properties of N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide?
N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide has a molecular weight of 439.62 g/mol, XLogP of 3.51, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide is sourced from PubChem (CID 91525905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).