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

C20H25FN2O3S — CID 71660507

IUPACN-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-15(22-27(2,24)25)17-5-3-16(4-6-17)13-23-11-12-26-20(14-23)18-7-9-19(21)10-8-18/h3-10,15,20,22H,11-14H2,1-2H3/t15-,20-/m1/s1
InChIKeyJUONYSHFHZDWHI-FOIQADDNSA-N
MW392.50 g/mol
LogP3.01
Rot. Bonds6

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

N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide (PubChem CID 71660507) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
PubChem CID71660507
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-15(22-27(2,24)25)17-5-3-16(4-6-17)13-23-11-12-26-20(14-23)18-7-9-19(21)10-8-18/h3-10,15,20,22H,11-14H2,1-2H3/t15-,20-/m1/s1
InChIKeyJUONYSHFHZDWHI-FOIQADDNSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide (CID 71660507) is N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide is C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is JUONYSHFHZDWHI-FOIQADDNSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-15(22-27(2,24)25)17-5-3-16(4-6-17)13-23-11-12-26-20(14-23)18-7-9-19(21)10-8-18/h3-10,15,20,22H,11-14H2,1-2H3/t15-,20-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide?
N-[(1R)-1-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 3.01, 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-(4-fluorophenyl)morpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 71660507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).