N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide

C21H27ClN2O5S — CID 164906477

IUPACN-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(OC[C@H](O)CN2CCOC(c3cccc(Cl)c3)C2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H27ClN2O5S/c1-23(30(2,26)27)18-6-8-20(9-7-18)29-15-19(25)13-24-10-11-28-21(14-24)16-4-3-5-17(22)12-16/h3-9,12,19,21,25H,10-11,13-15H2,1-2H3/t19-,21?/m1/s1
InChIKeyKJOKPYOHNQNZBZ-YMBRHYMPSA-N
MW454.98 g/mol
LogP2.55
Rot. Bonds8

About N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide

N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide (PubChem CID 164906477) has the molecular formula C21H27ClN2O5S and a molecular weight of 454.98 g/mol. Its IUPAC name is N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide
PubChem CID164906477
Molecular FormulaC21H27ClN2O5S
Molecular Weight454.98 g/mol
Exact Mass454.13
IUPAC NameN-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(OC[C@H](O)CN2CCOC(c3cccc(Cl)c3)C2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H27ClN2O5S/c1-23(30(2,26)27)18-6-8-20(9-7-18)29-15-19(25)13-24-10-11-28-21(14-24)16-4-3-5-17(22)12-16/h3-9,12,19,21,25H,10-11,13-15H2,1-2H3/t19-,21?/m1/s1
InChIKeyKJOKPYOHNQNZBZ-YMBRHYMPSA-N
XLogP2.55
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[4-(methylamino)phenoxy]propan-2-ol
CID 164906480
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
CID 110885577
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
CID 138959008
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917
N-[4-[3-[2-(3-chlorophenyl)ethyl-(cyclopropylmethyl)amino]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide
CID 169274979
1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol
CID 164906171
1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958928
[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate
CID 142726077
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol
CID 138959811
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide (CID 164906477) is N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide is CN(c1ccc(OC[C@H](O)CN2CCOC(c3cccc(Cl)c3)C2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide?
The InChIKey is KJOKPYOHNQNZBZ-YMBRHYMPSA-N. The full InChI is InChI=1S/C21H27ClN2O5S/c1-23(30(2,26)27)18-6-8-20(9-7-18)29-15-19(25)13-24-10-11-28-21(14-24)16-4-3-5-17(22)12-16/h3-9,12,19,21,25H,10-11,13-15H2,1-2H3/t19-,21?/m1/s1.
What are the key properties of N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide?
N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide has a molecular weight of 454.98 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 164906477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).