[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate

C24H23FN2O5S — CID 2579521

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN2O5S/c1-2-27(21-8-4-3-5-9-21)33(30,31)22-10-6-7-19(15-22)24(29)32-17-23(28)26-16-18-11-13-20(25)14-12-18/h3-15H,2,16-17H2,1H3,(H,26,28)
InChIKeyUTAKDMJYZYWXDC-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.51
Rot. Bonds9

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate (PubChem CID 2579521) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
PubChem CID2579521
Molecular FormulaC24H23FN2O5S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN2O5S/c1-2-27(21-8-4-3-5-9-21)33(30,31)22-10-6-7-19(15-22)24(29)32-17-23(28)26-16-18-11-13-20(25)14-12-18/h3-15H,2,16-17H2,1H3,(H,26,28)
InChIKeyUTAKDMJYZYWXDC-UHFFFAOYSA-N
XLogP3.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588136
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604431
[2-(ethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 2610488
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530671
[2-(cyclopropylamino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579762
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506002
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506159
[2-(3-methylanilino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579741
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
[2-(4-fluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588139
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529902
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577473

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate (CID 2579521) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate?
The InChIKey is UTAKDMJYZYWXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-2-27(21-8-4-3-5-9-21)33(30,31)22-10-6-7-19(15-22)24(29)32-17-23(28)26-16-18-11-13-20(25)14-12-18/h3-15H,2,16-17H2,1H3,(H,26,28).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate has a molecular weight of 470.52 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2579521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).