[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate

C22H18FNO4S — CID 7799598

IUPAC[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESO=C(CCC(=O)c1cccs1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H18FNO4S/c23-16-8-10-17(11-9-16)24-22(27)21(15-5-2-1-3-6-15)28-20(26)13-12-18(25)19-7-4-14-29-19/h1-11,14,21H,12-13H2,(H,24,27)/t21-/m1/s1
InChIKeyZFYDUIGWBFQOIY-OAQYLSRUSA-N
MW411.45 g/mol
LogP4.77
Rot. Bonds8

About [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 7799598) has the molecular formula C22H18FNO4S and a molecular weight of 411.45 g/mol. Its IUPAC name is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID7799598
Molecular FormulaC22H18FNO4S
Molecular Weight411.45 g/mol
Exact Mass411.09
IUPAC Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESO=C(CCC(=O)c1cccs1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H18FNO4S/c23-16-8-10-17(11-9-16)24-22(27)21(15-5-2-1-3-6-15)28-20(26)13-12-18(25)19-7-4-14-29-19/h1-11,14,21H,12-13H2,(H,24,27)/t21-/m1/s1
InChIKeyZFYDUIGWBFQOIY-OAQYLSRUSA-N
XLogP4.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55390691
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7810050
[(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-methylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799576
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
CID 78536179
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55376021
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799888
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7504677
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 46795202
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 41296919

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 7799598) is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate is O=C(CCC(=O)c1cccs1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is ZFYDUIGWBFQOIY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18FNO4S/c23-16-8-10-17(11-9-16)24-22(27)21(15-5-2-1-3-6-15)28-20(26)13-12-18(25)19-7-4-14-29-19/h1-11,14,21H,12-13H2,(H,24,27)/t21-/m1/s1.
What are the key properties of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 411.45 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 7799598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).