[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

C24H23FN2O5S — CID 42971860

IUPAC[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NCCC(=O)OC(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23FN2O5S/c1-17-7-13-21(14-8-17)33(30,31)26-16-15-22(28)32-23(18-5-3-2-4-6-18)24(29)27-20-11-9-19(25)10-12-20/h2-14,23,26H,15-16H2,1H3,(H,27,29)
InChIKeyQUXWZFKBSXRRGA-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.73
Rot. Bonds9

About [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 42971860) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID42971860
Molecular FormulaC24H23FN2O5S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NCCC(=O)OC(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23FN2O5S/c1-17-7-13-21(14-8-17)33(30,31)26-16-15-22(28)32-23(18-5-3-2-4-6-18)24(29)27-20-11-9-19(25)10-12-20/h2-14,23,26H,15-16H2,1H3,(H,27,29)
InChIKeyQUXWZFKBSXRRGA-UHFFFAOYSA-N
XLogP3.73
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
CID 7796632
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate
CID 7848093
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
CID 42902056
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602535
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839538
[1-(4-methylphenyl)-1-oxopropan-2-yl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 24817979
[1-(4-methylanilino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 18274286
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate
CID 16518158
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981523
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate (CID 42971860) is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)NCCC(=O)OC(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is QUXWZFKBSXRRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-17-7-13-21(14-8-17)33(30,31)26-16-15-22(28)32-23(18-5-3-2-4-6-18)24(29)27-20-11-9-19(25)10-12-20/h2-14,23,26H,15-16H2,1H3,(H,27,29).
What are the key properties of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate?
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 470.52 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 42971860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).