[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate

C20H24N2O6S — CID 16564974

IUPAC[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-27-17-8-4-15(5-9-17)12-20(24)28-13-19(23)22-14(2)16-6-10-18(11-7-16)29(21,25)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,23)(H2,21,25,26)
InChIKeyRGFJFGIEQHSHPE-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.70
Rot. Bonds9

About [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate

[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate (PubChem CID 16564974) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate
PubChem CID16564974
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-27-17-8-4-15(5-9-17)12-20(24)28-13-19(23)22-14(2)16-6-10-18(11-7-16)29(21,25)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,23)(H2,21,25,26)
InChIKeyRGFJFGIEQHSHPE-UHFFFAOYSA-N
XLogP1.70
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 9201232
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
CID 71820840
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2-methoxyphenyl)acetate
CID 9336979
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-ethoxybenzoate
CID 9197483
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011202
1-[1-(4-ethoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 2954250
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate (CID 16564974) is [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate?
The InChIKey is RGFJFGIEQHSHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-27-17-8-4-15(5-9-17)12-20(24)28-13-19(23)22-14(2)16-6-10-18(11-7-16)29(21,25)26/h4-11,14H,3,12-13H2,1-2H3,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate?
[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate has a molecular weight of 420.49 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate is sourced from PubChem (CID 16564974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).