N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide

C23H30N2O5S — CID 25009614

IUPACN-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCOCC(=O)N1CCC(O)(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30N2O5S/c1-24(31(28,29)21-10-6-3-7-11-21)16-17-30-19-22(26)25-14-12-23(27,13-15-25)18-20-8-4-2-5-9-20/h2-11,27H,12-19H2,1H3
InChIKeyRRQNIBBJWVXVTL-UHFFFAOYSA-N
MW446.57 g/mol
LogP1.92
Rot. Bonds9

About N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide

N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide (PubChem CID 25009614) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide
PubChem CID25009614
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCOCC(=O)N1CCC(O)(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30N2O5S/c1-24(31(28,29)21-10-6-3-7-11-21)16-17-30-19-22(26)25-14-12-23(27,13-15-25)18-20-8-4-2-5-9-20/h2-11,27H,12-19H2,1H3
InChIKeyRRQNIBBJWVXVTL-UHFFFAOYSA-N
XLogP1.92
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-(cyclopropylmethyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 87782947
2-[[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]-1-(4-benzyl-4-hydroxypiperidin-1-yl)ethanone
CID 25008240
4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 126527358
1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]ethanone
CID 25009090
1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]ethanone
CID 25010342
N-[2-[2-(4-ethenyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 59820135
2,4-dichloro-N-[2-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethoxy]ethyl]-N,6-dimethylbenzenesulfonamide
CID 68802543
1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]oxyethanone
CID 25009091
4-[2-(azepan-1-yl)-2-oxoethoxy]-N-benzyl-N-methylbenzenesulfonamide
CID 2214283
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 120810189
(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide
CID 124842008
4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
CID 119168410

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide (CID 25009614) is N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide is CN(CCOCC(=O)N1CCC(O)(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is RRQNIBBJWVXVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-24(31(28,29)21-10-6-3-7-11-21)16-17-30-19-22(26)25-14-12-23(27,13-15-25)18-20-8-4-2-5-9-20/h2-11,27H,12-19H2,1H3.
What are the key properties of N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide?
N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 446.57 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 25009614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).