[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

C19H20FNO6S — CID 8849505

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H20FNO6S/c1-3-26-15-10-8-14(9-11-15)17(22)12-27-19(23)13(2)21-28(24,25)18-7-5-4-6-16(18)20/h4-11,13,21H,3,12H2,1-2H3/t13-/m0/s1
InChIKeyFDRPCYNXMKAOFH-ZDUSSCGKSA-N
MW409.44 g/mol
LogP2.32
Rot. Bonds9

About [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 8849505) has the molecular formula C19H20FNO6S and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID8849505
Molecular FormulaC19H20FNO6S
Molecular Weight409.44 g/mol
Exact Mass409.10
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H20FNO6S/c1-3-26-15-10-8-14(9-11-15)17(22)12-27-19(23)13(2)21-28(24,25)18-7-5-4-6-16(18)20/h4-11,13,21H,3,12H2,1-2H3/t13-/m0/s1
InChIKeyFDRPCYNXMKAOFH-ZDUSSCGKSA-N
XLogP2.32
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849451
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842869
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849453
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2551031
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 25499350
2-fluoro-N-[(2S)-1-oxo-1-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 24539255
[2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849421
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927206
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 33239791

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (CID 8849505) is [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is CCOc1ccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is FDRPCYNXMKAOFH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FNO6S/c1-3-26-15-10-8-14(9-11-15)17(22)12-27-19(23)13(2)21-28(24,25)18-7-5-4-6-16(18)20/h4-11,13,21H,3,12H2,1-2H3/t13-/m0/s1.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 409.44 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8849505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).