[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

C24H21FN2O6S — CID 43004259

IUPAC[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
SMILESCC(=O)Nc1ccc(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H21FN2O6S/c1-15(23(29)17-6-10-20(11-7-17)26-16(2)28)33-24(30)18-4-3-5-22(14-18)34(31,32)27-21-12-8-19(25)9-13-21/h3-15,27H,1-2H3,(H,26,28)
InChIKeyPLZMJVNNXIQSAY-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.01
Rot. Bonds8

About [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate (PubChem CID 43004259) has the molecular formula C24H21FN2O6S and a molecular weight of 484.51 g/mol. Its IUPAC name is [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
PubChem CID43004259
Molecular FormulaC24H21FN2O6S
Molecular Weight484.51 g/mol
Exact Mass484.11
IUPAC Name[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
SMILESCC(=O)Nc1ccc(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H21FN2O6S/c1-15(23(29)17-6-10-20(11-7-17)26-16(2)28)33-24(30)18-4-3-5-22(14-18)34(31,32)27-21-12-8-19(25)9-13-21/h3-15,27H,1-2H3,(H,26,28)
InChIKeyPLZMJVNNXIQSAY-UHFFFAOYSA-N
XLogP4.01
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768294
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)benzoate
CID 7975428
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)benzoate
CID 7975429
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)benzoate
CID 7975410
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 8644524
[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 71903229
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 42997588
propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43056299
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55315584
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(propan-2-ylsulfamoyl)benzoate
CID 55422213
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 43014117

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The IUPAC name of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate (CID 43004259) is [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate is CC(=O)Nc1ccc(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1.
What is the InChIKey of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The InChIKey is PLZMJVNNXIQSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O6S/c1-15(23(29)17-6-10-20(11-7-17)26-16(2)28)33-24(30)18-4-3-5-22(14-18)34(31,32)27-21-12-8-19(25)9-13-21/h3-15,27H,1-2H3,(H,26,28).
What are the key properties of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate has a molecular weight of 484.51 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 43004259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).