[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate

C18H18N2O6S — CID 55404127

IUPAC[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O6S/c1-19-27(24,25)15-9-7-14(8-10-15)18(23)26-12-17(22)20-16(21)11-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,20,21,22)
InChIKeyBHGKXOQABKHXKE-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.64
Rot. Bonds7

About [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate (PubChem CID 55404127) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate
PubChem CID55404127
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O6S/c1-19-27(24,25)15-9-7-14(8-10-15)18(23)26-12-17(22)20-16(21)11-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,20,21,22)
InChIKeyBHGKXOQABKHXKE-UHFFFAOYSA-N
XLogP0.64
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 55404196
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8902545
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2450471
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 46609022
[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 8954643
N-methyl-4-phenacylbenzenesulfonamide
CID 63199150
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 55530805
[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2512656
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 46609097
(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670152
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate (CID 55404127) is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate?
The InChIKey is BHGKXOQABKHXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-19-27(24,25)15-9-7-14(8-10-15)18(23)26-12-17(22)20-16(21)11-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,20,21,22).
What are the key properties of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate?
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate has a molecular weight of 390.42 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate is sourced from PubChem (CID 55404127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).