N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide

C23H30N2O3S — CID 2278926

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
SMILESCCc1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C23H30N2O3S/c1-3-21-11-7-8-12-22(21)25(29(2,27)28)18-23(26)24-15-13-20(14-16-24)17-19-9-5-4-6-10-19/h4-12,20H,3,13-18H2,1-2H3
InChIKeyDUEKZCFYPMGXMJ-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.50
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide (PubChem CID 2278926) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
PubChem CID2278926
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
SMILESCCc1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C23H30N2O3S/c1-3-21-11-7-8-12-22(21)25(29(2,27)28)18-23(26)24-15-13-20(14-16-24)17-19-9-5-4-6-10-19/h4-12,20H,3,13-18H2,1-2H3
InChIKeyDUEKZCFYPMGXMJ-UHFFFAOYSA-N
XLogP3.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide 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-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide (CID 2278926) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide is CCc1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide?
The InChIKey is DUEKZCFYPMGXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-3-21-11-7-8-12-22(21)25(29(2,27)28)18-23(26)24-15-13-20(14-16-24)17-19-9-5-4-6-10-19/h4-12,20H,3,13-18H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide is sourced from PubChem (CID 2278926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).