4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide

C22H28N2O4S — CID 108565892

IUPAC4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-2-18-8-10-21(11-9-18)29(26,27)23-19-12-15-24(16-13-19)22(25)14-17-28-20-6-4-3-5-7-20/h3-11,19,23H,2,12-17H2,1H3
InChIKeyMMJGLXUHKBMCPE-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.99
Rot. Bonds8

About 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide

4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108565892) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108565892
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-2-18-8-10-21(11-9-18)29(26,27)23-19-12-15-24(16-13-19)22(25)14-17-28-20-6-4-3-5-7-20/h3-11,19,23H,2,12-17H2,1H3
InChIKeyMMJGLXUHKBMCPE-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide 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

1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-1-one
CID 108569435
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108566980
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561671
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565409
[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108563317
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565478

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide (CID 108565892) is 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is MMJGLXUHKBMCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-2-18-8-10-21(11-9-18)29(26,27)23-19-12-15-24(16-13-19)22(25)14-17-28-20-6-4-3-5-7-20/h3-11,19,23H,2,12-17H2,1H3.
What are the key properties of 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide?
4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108565892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).