N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C22H28N2O4S — CID 26415265

IUPACN-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H28N2O4S/c1-3-23(17-18-7-5-4-6-8-18)22(25)19-13-15-24(16-14-19)29(26,27)21-11-9-20(28-2)10-12-21/h4-12,19H,3,13-17H2,1-2H3
InChIKeyYMQODOBTBXGCMV-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.14
Rot. Bonds7

About N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26415265) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26415265
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H28N2O4S/c1-3-23(17-18-7-5-4-6-8-18)22(25)19-13-15-24(16-14-19)29(26,27)21-11-9-20(28-2)10-12-21/h4-12,19H,3,13-17H2,1-2H3
InChIKeyYMQODOBTBXGCMV-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide 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-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 26415265) is N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YMQODOBTBXGCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-23(17-18-7-5-4-6-8-18)22(25)19-13-15-24(16-14-19)29(26,27)21-11-9-20(28-2)10-12-21/h4-12,19H,3,13-17H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26415265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).