[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate

C20H24N2O6S — CID 8846555

IUPAC[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate
SMILESCc1cccc(O[C@H](C)C(=O)OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C20H24N2O6S/c1-13-5-4-6-17(11-13)28-15(3)20(24)27-12-19(23)22-14(2)16-7-9-18(10-8-16)29(21,25)26/h4-11,14-15H,12H2,1-3H3,(H,22,23)(H2,21,25,26)/t14-,15+/m0/s1
InChIKeyGHYYNSKRLYBTAD-LSDHHAIUSA-N
MW420.49 g/mol
LogP1.83
Rot. Bonds8

About [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate

[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate (PubChem CID 8846555) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate
PubChem CID8846555
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate
SMILESCc1cccc(O[C@H](C)C(=O)OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C20H24N2O6S/c1-13-5-4-6-17(11-13)28-15(3)20(24)27-12-19(23)22-14(2)16-7-9-18(10-8-16)29(21,25)26/h4-11,14-15H,12H2,1-3H3,(H,22,23)(H2,21,25,26)/t14-,15+/m0/s1
InChIKeyGHYYNSKRLYBTAD-LSDHHAIUSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 3-methoxybenzoate
CID 9019237
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671
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-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9335831
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846660
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate (CID 8846555) is [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate is Cc1cccc(O[C@H](C)C(=O)OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate?
The InChIKey is GHYYNSKRLYBTAD-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-13-5-4-6-17(11-13)28-15(3)20(24)27-12-19(23)22-14(2)16-7-9-18(10-8-16)29(21,25)26/h4-11,14-15H,12H2,1-3H3,(H,22,23)(H2,21,25,26)/t14-,15+/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate?
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate has a molecular weight of 420.49 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 8846555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).