[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C17H24N2O6S — CID 2645845

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C17H24N2O6S/c1-12-4-6-15(7-5-12)26(22,23)18-8-17(21)24-11-16(20)19-9-13(2)25-14(3)10-19/h4-7,13-14,18H,8-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyJWPKQYPQPVGDHN-ZIAGYGMSSA-N
MW384.45 g/mol
LogP0.45
Rot. Bonds6

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2645845) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2645845
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C17H24N2O6S/c1-12-4-6-15(7-5-12)26(22,23)18-8-17(21)24-11-16(20)19-9-13(2)25-14(3)10-19/h4-7,13-14,18H,8-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyJWPKQYPQPVGDHN-ZIAGYGMSSA-N
XLogP0.45
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55479848
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828194
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570229
[2-(azetidin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 166220509
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899443
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849980
(2-oxo-2-phenothiazin-10-ylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2373283
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 31466785
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311623
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 4287885
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 51723611

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2645845) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is JWPKQYPQPVGDHN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-12-4-6-15(7-5-12)26(22,23)18-8-17(21)24-11-16(20)19-9-13(2)25-14(3)10-19/h4-7,13-14,18H,8-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 384.45 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2645845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).