N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C19H26N4O4S — CID 53085473

IUPACN-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)cc1
InChIInChI=1S/C19H26N4O4S/c1-3-22-13-18(20-14-22)28(25,26)23-11-9-15(10-12-23)19(24)21-16-5-7-17(8-6-16)27-4-2/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,21,24)
InChIKeyKFMHXSFGVQOTIL-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.34
Rot. Bonds7

About N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085473) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085473
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)cc1
InChIInChI=1S/C19H26N4O4S/c1-3-22-13-18(20-14-22)28(25,26)23-11-9-15(10-12-23)19(24)21-16-5-7-17(8-6-16)27-4-2/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,21,24)
InChIKeyKFMHXSFGVQOTIL-UHFFFAOYSA-N
XLogP2.34
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)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-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085473) is N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KFMHXSFGVQOTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-3-22-13-18(20-14-22)28(25,26)23-11-9-15(10-12-23)19(24)21-16-5-7-17(8-6-16)27-4-2/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).