[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate

C18H20N2O6S — CID 7229828

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-2-16(26-14-6-4-3-5-7-14)18(22)25-12-17(21)20-13-8-10-15(11-9-13)27(19,23)24/h3-11,16H,2,12H2,1H3,(H,20,21)(H2,19,23,24)/t16-/m1/s1
InChIKeyVGVVQIAAQQOKED-MRXNPFEDSA-N
MW392.43 g/mol
LogP1.67
Rot. Bonds8

About [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate (PubChem CID 7229828) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate
PubChem CID7229828
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-2-16(26-14-6-4-3-5-7-14)18(22)25-12-17(21)20-13-8-10-15(11-9-13)27(19,23)24/h3-11,16H,2,12H2,1H3,(H,20,21)(H2,19,23,24)/t16-/m1/s1
InChIKeyVGVVQIAAQQOKED-MRXNPFEDSA-N
XLogP1.67
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate with MolForge

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233309
ethyl 4-[[2-[(2S)-2-phenoxybutanoyl]oxyacetyl]amino]benzoate
CID 7233328
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772394
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555603
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233320
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229814
[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555759
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233343
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate
CID 7984597
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833731

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate (CID 7229828) is [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate is CC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate?
The InChIKey is VGVVQIAAQQOKED-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-2-16(26-14-6-4-3-5-7-14)18(22)25-12-17(21)20-13-8-10-15(11-9-13)27(19,23)24/h3-11,16H,2,12H2,1H3,(H,20,21)(H2,19,23,24)/t16-/m1/s1.
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate has a molecular weight of 392.43 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate is sourced from PubChem (CID 7229828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).