[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate

C20H24N2O6S — CID 9335831

IUPAC[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H24N2O6S/c1-13-4-9-18(14(2)10-13)27-12-20(24)28-11-19(23)22-15(3)16-5-7-17(8-6-16)29(21,25)26/h4-10,15H,11-12H2,1-3H3,(H,22,23)(H2,21,25,26)/t15-/m1/s1
InChIKeyIJWHARLWADRGAU-OAHLLOKOSA-N
MW420.49 g/mol
LogP1.75
Rot. Bonds8

About [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate

[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate (PubChem CID 9335831) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
PubChem CID9335831
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H24N2O6S/c1-13-4-9-18(14(2)10-13)27-12-20(24)28-11-19(23)22-15(3)16-5-7-17(8-6-16)29(21,25)26/h4-10,15H,11-12H2,1-3H3,(H,22,23)(H2,21,25,26)/t15-/m1/s1
InChIKeyIJWHARLWADRGAU-OAHLLOKOSA-N
XLogP1.75
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate with MolForge

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Related Compounds

[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814007
2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608
2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 34662548
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17327092
3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 18160079
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9336333
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846555
2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096240
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2-methoxyphenyl)acetate
CID 9336979
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate (CID 9335831) is [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate?
The InChIKey is IJWHARLWADRGAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-13-4-9-18(14(2)10-13)27-12-20(24)28-11-19(23)22-15(3)16-5-7-17(8-6-16)29(21,25)26/h4-10,15H,11-12H2,1-3H3,(H,22,23)(H2,21,25,26)/t15-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate?
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate has a molecular weight of 420.49 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate is sourced from PubChem (CID 9335831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).