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

C21H28ClFN2O3S — CID 162313172

IUPACN-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride
SMILESCC(c1ccc([C@@H](C)NS(C)(=O)=O)cc1)N1CCO[C@H](c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C21H27FN2O3S.ClH/c1-15(23-28(3,25)26)17-4-6-18(7-5-17)16(2)24-12-13-27-21(14-24)19-8-10-20(22)11-9-19;/h4-11,15-16,21,23H,12-14H2,1-3H3;1H/t15-,16?,21+;/m1./s1
InChIKeyVKJMCWZDEDVXDC-HRNZUISNSA-N
MW442.98 g/mol
LogP3.99
Rot. Bonds6

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

N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride (PubChem CID 162313172) has the molecular formula C21H28ClFN2O3S and a molecular weight of 442.98 g/mol. Its IUPAC name is N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride
PubChem CID162313172
Molecular FormulaC21H28ClFN2O3S
Molecular Weight442.98 g/mol
Exact Mass442.15
IUPAC NameN-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride
SMILESCC(c1ccc([C@@H](C)NS(C)(=O)=O)cc1)N1CCO[C@H](c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C21H27FN2O3S.ClH/c1-15(23-28(3,25)26)17-4-6-18(7-5-17)16(2)24-12-13-27-21(14-24)19-8-10-20(22)11-9-19;/h4-11,15-16,21,23H,12-14H2,1-3H3;1H/t15-,16?,21+;/m1./s1
InChIKeyVKJMCWZDEDVXDC-HRNZUISNSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.98
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride with MolForge

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Related Compounds

(2S)-2-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholine
CID 67352997
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98723473
(2R)-2-(3-fluorophenyl)-4-[(1S)-1-phenylethyl]morpholine
CID 67352838
N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
CID 123168932
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 36875201
(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 51671941
N-(2,4-difluorophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571268
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide
CID 66703979
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride (CID 162313172) is N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride is CC(c1ccc([C@@H](C)NS(C)(=O)=O)cc1)N1CCO[C@H](c2ccc(F)cc2)C1.Cl.
What is the InChIKey of N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride?
The InChIKey is VKJMCWZDEDVXDC-HRNZUISNSA-N. The full InChI is InChI=1S/C21H27FN2O3S.ClH/c1-15(23-28(3,25)26)17-4-6-18(7-5-17)16(2)24-12-13-27-21(14-24)19-8-10-20(22)11-9-19;/h4-11,15-16,21,23H,12-14H2,1-3H3;1H/t15-,16?,21+;/m1./s1.
What are the key properties of N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride?
N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride has a molecular weight of 442.98 g/mol, XLogP of 3.99, 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-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 162313172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).