[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate

C18H18Cl2N2O6S — CID 55422777

IUPAC[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(OC(=O)C(C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H18Cl2N2O6S/c1-10(17(23)22-13-4-3-5-14(9-13)29(21,25)26)28-18(24)11(2)27-16-7-6-12(19)8-15(16)20/h3-11H,1-2H3,(H,22,23)(H2,21,25,26)
InChIKeyOFEFGGLCRJVXID-UHFFFAOYSA-N
MW461.32 g/mol
LogP2.98
Rot. Bonds7

About [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate

[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate (PubChem CID 55422777) has the molecular formula C18H18Cl2N2O6S and a molecular weight of 461.32 g/mol. Its IUPAC name is [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
PubChem CID55422777
Molecular FormulaC18H18Cl2N2O6S
Molecular Weight461.32 g/mol
Exact Mass460.03
IUPAC Name[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(OC(=O)C(C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H18Cl2N2O6S/c1-10(17(23)22-13-4-3-5-14(9-13)29(21,25)26)28-18(24)11(2)27-16-7-6-12(19)8-15(16)20/h3-11H,1-2H3,(H,22,23)(H2,21,25,26)
InChIKeyOFEFGGLCRJVXID-UHFFFAOYSA-N
XLogP2.98
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 23822406
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872819
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862498
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837826
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197387
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate (CID 55422777) is [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate is CC(OC(=O)C(C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is OFEFGGLCRJVXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O6S/c1-10(17(23)22-13-4-3-5-14(9-13)29(21,25)26)28-18(24)11(2)27-16-7-6-12(19)8-15(16)20/h3-11H,1-2H3,(H,22,23)(H2,21,25,26).
What are the key properties of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate?
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 461.32 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 55422777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).