N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide

C23H32N2O4S — CID 19099909

IUPACN-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(CCN2CCC(C(C)(O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C23H32N2O4S/c1-23(26,19-6-8-21(9-7-19)24-30(3,27)28)20-13-16-25(17-14-20)15-12-18-4-10-22(29-2)11-5-18/h4-11,20,24,26H,12-17H2,1-3H3
InChIKeyNJARDIILIVFAHU-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.23
Rot. Bonds8

About N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide

N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide (PubChem CID 19099909) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide
PubChem CID19099909
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(CCN2CCC(C(C)(O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C23H32N2O4S/c1-23(26,19-6-8-21(9-7-19)24-30(3,27)28)20-13-16-25(17-14-20)15-12-18-4-10-22(29-2)11-5-18/h4-11,20,24,26H,12-17H2,1-3H3
InChIKeyNJARDIILIVFAHU-UHFFFAOYSA-N
XLogP3.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837570
1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
CID 67038164
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 24732325
N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 154751347
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
1-butyl-3-tert-butyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038316
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide (CID 19099909) is N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide is COc1ccc(CCN2CCC(C(C)(O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide?
The InChIKey is NJARDIILIVFAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-23(26,19-6-8-21(9-7-19)24-30(3,27)28)20-13-16-25(17-14-20)15-12-18-4-10-22(29-2)11-5-18/h4-11,20,24,26H,12-17H2,1-3H3.
What are the key properties of N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide?
N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide has a molecular weight of 432.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 19099909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).