[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate

C18H19N3O6S — CID 8954643

IUPAC[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19N3O6S/c1-2-19-28(25,26)15-10-8-13(9-11-15)17(23)27-12-16(22)21-18(24)20-14-6-4-3-5-7-14/h3-11,19H,2,12H2,1H3,(H2,20,21,22,24)
InChIKeyAZHFYNCDRRHIKX-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.49
Rot. Bonds7

About [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate

[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate (PubChem CID 8954643) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate
PubChem CID8954643
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19N3O6S/c1-2-19-28(25,26)15-10-8-13(9-11-15)17(23)27-12-16(22)21-18(24)20-14-6-4-3-5-7-14/h3-11,19H,2,12H2,1H3,(H2,20,21,22,24)
InChIKeyAZHFYNCDRRHIKX-UHFFFAOYSA-N
XLogP1.49
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828175
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 18085655
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2450471
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7429620
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828103
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7429496
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate
CID 55404127

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate (CID 8954643) is [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate?
The InChIKey is AZHFYNCDRRHIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-2-19-28(25,26)15-10-8-13(9-11-15)17(23)27-12-16(22)21-18(24)20-14-6-4-3-5-7-14/h3-11,19H,2,12H2,1H3,(H2,20,21,22,24).
What are the key properties of [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate?
[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate has a molecular weight of 405.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 8954643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).