3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide

C23H30N2O3S — CID 91903765

IUPAC3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-2-24(19-21-9-5-3-6-10-21)23(26)14-13-20-15-17-25(18-16-20)29(27,28)22-11-7-4-8-12-22/h3-12,20H,2,13-19H2,1H3
InChIKeyCRHYZWFZCDQGIS-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.92
Rot. Bonds8

About 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide

3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide (PubChem CID 91903765) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
PubChem CID91903765
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-2-24(19-21-9-5-3-6-10-21)23(26)14-13-20-15-17-25(18-16-20)29(27,28)22-11-7-4-8-12-22/h3-12,20H,2,13-19H2,1H3
InChIKeyCRHYZWFZCDQGIS-UHFFFAOYSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide 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-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-ethylacetamide
CID 8692384
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 26328630
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
benzyl 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanoate
CID 166448326

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide?
The IUPAC name of 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide (CID 91903765) is 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide.
What is the SMILES notation for 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide?
The canonical SMILES for 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide?
The InChIKey is CRHYZWFZCDQGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-2-24(19-21-9-5-3-6-10-21)23(26)14-13-20-15-17-25(18-16-20)29(27,28)22-11-7-4-8-12-22/h3-12,20H,2,13-19H2,1H3.
What are the key properties of 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide?
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide has a molecular weight of 414.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide is sourced from PubChem (CID 91903765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).