[2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate

C23H20ClFN2O5S — CID 2669000

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)NCCc1ccccc1
InChIInChI=1S/C23H20ClFN2O5S/c24-20-11-6-17(14-21(20)33(30,31)27-19-9-7-18(25)8-10-19)23(29)32-15-22(28)26-13-12-16-4-2-1-3-5-16/h1-11,14,27H,12-13,15H2,(H,26,28)
InChIKeyJKTWBRYDYFYPOQ-UHFFFAOYSA-N
MW490.94 g/mol
LogP3.80
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate (PubChem CID 2669000) has the molecular formula C23H20ClFN2O5S and a molecular weight of 490.94 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate
PubChem CID2669000
Molecular FormulaC23H20ClFN2O5S
Molecular Weight490.94 g/mol
Exact Mass490.08
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)NCCc1ccccc1
InChIInChI=1S/C23H20ClFN2O5S/c24-20-11-6-17(14-21(20)33(30,31)27-19-9-7-18(25)8-10-19)23(29)32-15-22(28)26-13-12-16-4-2-1-3-5-16/h1-11,14,27H,12-13,15H2,(H,26,28)
InChIKeyJKTWBRYDYFYPOQ-UHFFFAOYSA-N
XLogP3.80
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.94
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599452
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623650
[2-(4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823723
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42967803
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505071
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2364423
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-chloro-4-fluorobenzoate
CID 46859622
[2-(4-hydroxyanilino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 27908389
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584207
[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2512656
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate (CID 2669000) is [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate is O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate?
The InChIKey is JKTWBRYDYFYPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O5S/c24-20-11-6-17(14-21(20)33(30,31)27-19-9-7-18(25)8-10-19)23(29)32-15-22(28)26-13-12-16-4-2-1-3-5-16/h1-11,14,27H,12-13,15H2,(H,26,28).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate has a molecular weight of 490.94 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2669000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).