N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C25H34N2O5S — CID 55655582

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1
InChIInChI=1S/C25H34N2O5S/c1-16-14-17(2)19(4)24(18(16)3)33(30,31)27-12-10-21(11-13-27)25(29)26-15-23(28)20-6-8-22(32-5)9-7-20/h6-9,14,21,23,28H,10-13,15H2,1-5H3,(H,26,29)
InChIKeyHUEABIMJPBGERP-UHFFFAOYSA-N
MW474.62 g/mol
LogP3.18
Rot. Bonds7

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55655582) has the molecular formula C25H34N2O5S and a molecular weight of 474.62 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55655582
Molecular FormulaC25H34N2O5S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1
InChIInChI=1S/C25H34N2O5S/c1-16-14-17(2)19(4)24(18(16)3)33(30,31)27-12-10-21(11-13-27)25(29)26-15-23(28)20-6-8-22(32-5)9-7-20/h6-9,14,21,23,28H,10-13,15H2,1-5H3,(H,26,29)
InChIKeyHUEABIMJPBGERP-UHFFFAOYSA-N
XLogP3.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46590373
N-(2-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55612058
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 55376283
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90613388
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 36917432
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200
(3-methoxyphenyl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 27026066
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25409009
N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003254

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 55655582) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(C(O)CNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HUEABIMJPBGERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5S/c1-16-14-17(2)19(4)24(18(16)3)33(30,31)27-12-10-21(11-13-27)25(29)26-15-23(28)20-6-8-22(32-5)9-7-20/h6-9,14,21,23,28H,10-13,15H2,1-5H3,(H,26,29).
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 474.62 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55655582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).