[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

C21H24FN3O6S — CID 55303991

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C21H24FN3O6S/c1-3-25(4-2)32(29,30)18-10-8-15(9-11-18)21(28)23-13-20(27)31-14-19(26)24-17-7-5-6-16(22)12-17/h5-12H,3-4,13-14H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyXUUDWIZEQVDFAU-UHFFFAOYSA-N
MW465.50 g/mol
LogP1.77
Rot. Bonds10

About [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 55303991) has the molecular formula C21H24FN3O6S and a molecular weight of 465.50 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID55303991
Molecular FormulaC21H24FN3O6S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C21H24FN3O6S/c1-3-25(4-2)32(29,30)18-10-8-15(9-11-18)21(28)23-13-20(27)31-14-19(26)24-17-7-5-6-16(22)12-17/h5-12H,3-4,13-14H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyXUUDWIZEQVDFAU-UHFFFAOYSA-N
XLogP1.77
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 29155285
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356749
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304152
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 42964227
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 9245668
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 55303991) is [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is XUUDWIZEQVDFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O6S/c1-3-25(4-2)32(29,30)18-10-8-15(9-11-18)21(28)23-13-20(27)31-14-19(26)24-17-7-5-6-16(22)12-17/h5-12H,3-4,13-14H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 465.50 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 55303991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).