(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide

C19H22N2O5S — CID 120934345

IUPAC(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13-18(20-10-11-25-13)19(22)21-14-6-8-15(9-7-14)26-16-4-3-5-17(12-16)27(2,23)24/h3-9,12-13,18,20H,10-11H2,1-2H3,(H,21,22)/t13-,18+/m1/s1
InChIKeyFDJPJUXLJGTGCL-ACJLOTCBSA-N
MW390.46 g/mol
LogP2.20
Rot. Bonds5

About (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide (PubChem CID 120934345) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
PubChem CID120934345
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13-18(20-10-11-25-13)19(22)21-14-6-8-15(9-7-14)26-16-4-3-5-17(12-16)27(2,23)24/h3-9,12-13,18,20H,10-11H2,1-2H3,(H,21,22)/t13-,18+/m1/s1
InChIKeyFDJPJUXLJGTGCL-ACJLOTCBSA-N
XLogP2.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531
N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 119331523
N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119331518
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120923924
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120935775

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide (CID 120934345) is (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide?
The InChIKey is FDJPJUXLJGTGCL-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-18(20-10-11-25-13)19(22)21-14-6-8-15(9-7-14)26-16-4-3-5-17(12-16)27(2,23)24/h3-9,12-13,18,20H,10-11H2,1-2H3,(H,21,22)/t13-,18+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120934345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).