N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide

C21H26N2O5S — CID 49151791

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide
SMILESCC1CN(c2ccc(NC(=O)COc3ccc(S(C)(=O)=O)cc3)cc2)CC(C)O1
InChIInChI=1S/C21H26N2O5S/c1-15-12-23(13-16(2)28-15)18-6-4-17(5-7-18)22-21(24)14-27-19-8-10-20(11-9-19)29(3,25)26/h4-11,15-16H,12-14H2,1-3H3,(H,22,24)
InChIKeyDXOIWRMMHLREHU-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.72
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 49151791) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID49151791
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide
SMILESCC1CN(c2ccc(NC(=O)COc3ccc(S(C)(=O)=O)cc3)cc2)CC(C)O1
InChIInChI=1S/C21H26N2O5S/c1-15-12-23(13-16(2)28-15)18-6-4-17(5-7-18)22-21(24)14-27-19-8-10-20(11-9-19)29(3,25)26/h4-11,15-16H,12-14H2,1-3H3,(H,22,24)
InChIKeyDXOIWRMMHLREHU-UHFFFAOYSA-N
XLogP2.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 99579980
2-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 126237333
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-sulfamoylphenoxy)acetamide
CID 146088437
2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
CID 163326658
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 94140245
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
2-(4-ethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 21234810
N-(4-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8840330
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide (CID 49151791) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide is CC1CN(c2ccc(NC(=O)COc3ccc(S(C)(=O)=O)cc3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is DXOIWRMMHLREHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15-12-23(13-16(2)28-15)18-6-4-17(5-7-18)22-21(24)14-27-19-8-10-20(11-9-19)29(3,25)26/h4-11,15-16H,12-14H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 418.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 49151791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).