(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

C19H19FN2O6S — CID 55313339

IUPAC(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccccc1
InChIInChI=1S/C19H19FN2O6S/c20-16-7-6-14(12-17(16)29(25,26)22-8-10-27-11-9-22)19(24)28-13-18(23)21-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,23)
InChIKeyPDXAQTFUJROHQN-UHFFFAOYSA-N
MW422.43 g/mol
LogP1.64
Rot. Bonds6

About (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 55313339) has the molecular formula C19H19FN2O6S and a molecular weight of 422.43 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID55313339
Molecular FormulaC19H19FN2O6S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC Name(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccccc1
InChIInChI=1S/C19H19FN2O6S/c20-16-7-6-14(12-17(16)29(25,26)22-8-10-27-11-9-22)19(24)28-13-18(23)21-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,23)
InChIKeyPDXAQTFUJROHQN-UHFFFAOYSA-N
XLogP1.64
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4853608
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521438
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521432
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 55313620
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 24686344
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2464166
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2111334
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 42962810
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 98415962
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521443
[2-(cyclooctylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4009487
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4302428

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CID 55313339) is (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PDXAQTFUJROHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O6S/c20-16-7-6-14(12-17(16)29(25,26)22-8-10-27-11-9-22)19(24)28-13-18(23)21-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,23).
What are the key properties of (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 422.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 55313339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).