[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate

C19H21FN2O5S — CID 18127628

IUPAC[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCCN(C(=O)COC(=O)c1cc(S(=O)(=O)NC)ccc1F)c1ccccc1C
InChIInChI=1S/C19H21FN2O5S/c1-4-22(17-8-6-5-7-13(17)2)18(23)12-27-19(24)15-11-14(9-10-16(15)20)28(25,26)21-3/h5-11,21H,4,12H2,1-3H3
InChIKeyRWCVJDANQRAWDE-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.25
Rot. Bonds7

About [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate

[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate (PubChem CID 18127628) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
PubChem CID18127628
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCCN(C(=O)COC(=O)c1cc(S(=O)(=O)NC)ccc1F)c1ccccc1C
InChIInChI=1S/C19H21FN2O5S/c1-4-22(17-8-6-5-7-13(17)2)18(23)12-27-19(24)15-11-14(9-10-16(15)20)28(25,26)21-3/h5-11,21H,4,12H2,1-3H3
InChIKeyRWCVJDANQRAWDE-UHFFFAOYSA-N
XLogP2.25
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-cyclohexylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 16520659
butyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18169512
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18202301
[2-(tert-butylamino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085308
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8506195
[2-oxo-2-(pentylamino)ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 34876926
[2-(2-methylpropylamino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085309
[2-(3-fluoroanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085307
[2-(azocan-1-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18202293
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 2512971
(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125487
[2-(3-acetylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 55313015

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate (CID 18127628) is [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate is CCN(C(=O)COC(=O)c1cc(S(=O)(=O)NC)ccc1F)c1ccccc1C.
What is the InChIKey of [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate?
The InChIKey is RWCVJDANQRAWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-4-22(17-8-6-5-7-13(17)2)18(23)12-27-19(24)15-11-14(9-10-16(15)20)28(25,26)21-3/h5-11,21H,4,12H2,1-3H3.
What are the key properties of [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate?
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate has a molecular weight of 408.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 18127628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).