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

C22H30N2O3S — CID 75437835

IUPACN-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCCC1(O)CCN(CC(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O3S/c1-3-22(25)13-15-24(16-14-22)17-21(19-7-5-4-6-8-19)23-28(26,27)20-11-9-18(2)10-12-20/h4-12,21,23,25H,3,13-17H2,1-2H3
InChIKeyBAXCPKDIYGKLCO-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.25
Rot. Bonds7

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

N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 75437835) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID75437835
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCCC1(O)CCN(CC(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O3S/c1-3-22(25)13-15-24(16-14-22)17-21(19-7-5-4-6-8-19)23-28(26,27)20-11-9-18(2)10-12-20/h4-12,21,23,25H,3,13-17H2,1-2H3
InChIKeyBAXCPKDIYGKLCO-UHFFFAOYSA-N
XLogP3.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11360845
4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide
CID 97252220
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
CID 8844499
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide (CID 75437835) is N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide is CCC1(O)CCN(CC(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is BAXCPKDIYGKLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-22(25)13-15-24(16-14-22)17-21(19-7-5-4-6-8-19)23-28(26,27)20-11-9-18(2)10-12-20/h4-12,21,23,25H,3,13-17H2,1-2H3.
What are the key properties of N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide?
N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75437835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).