N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide

C20H26N2O3S — CID 91937936

IUPACN-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C20H26N2O3S/c1-16(21-26(2,23)24)18-10-8-17(9-11-18)14-22-12-13-25-20(15-22)19-6-4-3-5-7-19/h3-11,16,20-21H,12-15H2,1-2H3/t16-,20-/m1/s1
InChIKeyKWZLOWWEGAEOPZ-OXQOHEQNSA-N
MW374.51 g/mol
LogP2.87
Rot. Bonds6

About N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide

N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide (PubChem CID 91937936) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
PubChem CID91937936
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C20H26N2O3S/c1-16(21-26(2,23)24)18-10-8-17(9-11-18)14-22-12-13-25-20(15-22)19-6-4-3-5-7-19/h3-11,16,20-21H,12-15H2,1-2H3/t16-,20-/m1/s1
InChIKeyKWZLOWWEGAEOPZ-OXQOHEQNSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyloxy-2-phenyl-piperidine
CID 44331794
(2-Benzhydryloxy-ethyl)-(1-benzyl-piperidin-4-yl)-amine
CID 10525046
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)methanesulfonamide
CID 52949509
N-[(1R)-1-(4-{[(2S)-2-(4-Fluorophenyl)morpholin-4-yl]methyl}phenyl)ethyl]methanesulfonamide
CID 71660507
2-Phenyl-3-(1-phenyl-ethoxy)-piperidine
CID 44331715
1-[2-[(3,5-Dimethylphenyl)methoxy]-1-phenylethyl]piperazine
CID 44338532
N-[(1R)-1-[4-[[[(2R,5S)-5-phenyl-1,4-dioxan-2-yl]methylamino]methyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 118711152
N-[(1S)-1-[4-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]phenyl]-2,2,2-trifluoroethyl]methanesulfonamide
CID 91937930
N-[(1R)-1-[4-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 91937931
N-[(1S)-2,2,2-trifluoro-1-[4-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
CID 91937934
(6R,7S)-6-methyl-5-[(4-methylphenyl)methyl]-7-phenyl-1,4,5-oxathiazepane 4,4-dioxide
CID 25011633
(3S,4R)-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(phenylmethoxymethyl)-1,2-thiazolidine 1,1-dioxide
CID 51359889

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide (CID 91937936) is N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide is C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is KWZLOWWEGAEOPZ-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16(21-26(2,23)24)18-10-8-17(9-11-18)14-22-12-13-25-20(15-22)19-6-4-3-5-7-19/h3-11,16,20-21H,12-15H2,1-2H3/t16-,20-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide?
N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 91937936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).