N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C26H36N2O5S — CID 16548990

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)cc1OCC
InChIInChI=1S/C26H36N2O5S/c1-5-32-24-11-10-21(15-25(24)33-6-2)12-13-27-26(29)22-8-7-9-23(16-22)34(30,31)28-17-19(3)14-20(4)18-28/h7-11,15-16,19-20H,5-6,12-14,17-18H2,1-4H3,(H,27,29)
InChIKeyDPSOEOPYKVOKJK-UHFFFAOYSA-N
MW488.65 g/mol
LogP4.12
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 16548990) has the molecular formula C26H36N2O5S and a molecular weight of 488.65 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID16548990
Molecular FormulaC26H36N2O5S
Molecular Weight488.65 g/mol
Exact Mass488.23
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)cc1OCC
InChIInChI=1S/C26H36N2O5S/c1-5-32-24-11-10-21(15-25(24)33-6-2)12-13-27-26(29)22-8-7-9-23(16-22)34(30,31)28-17-19(3)14-20(4)18-28/h7-11,15-16,19-20H,5-6,12-14,17-18H2,1-4H3,(H,27,29)
InChIKeyDPSOEOPYKVOKJK-UHFFFAOYSA-N
XLogP4.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide 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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 3434532
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533218
N-[3-(dimethylamino)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 78781185
N-(3-butoxypropyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46799032
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407954
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)propyl]benzamide
CID 120829858
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43016530
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
(3,4-dimethoxyphenyl)methyl 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 25388701

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 16548990) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is CCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is DPSOEOPYKVOKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5S/c1-5-32-24-11-10-21(15-25(24)33-6-2)12-13-27-26(29)22-8-7-9-23(16-22)34(30,31)28-17-19(3)14-20(4)18-28/h7-11,15-16,19-20H,5-6,12-14,17-18H2,1-4H3,(H,27,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 488.65 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 16548990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).