[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate

C18H19FN2O5S — CID 9198783

IUPAC[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate
SMILESC[C@H](NC(=O)COC(=O)Cc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19FN2O5S/c1-12(14-4-8-16(9-5-14)27(20,24)25)21-17(22)11-26-18(23)10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,22)(H2,20,24,25)/t12-/m0/s1
InChIKeyBZYSCLPPNQZSJC-LBPRGKRZSA-N
MW394.42 g/mol
LogP1.44
Rot. Bonds7

About [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate

[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate (PubChem CID 9198783) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate
PubChem CID9198783
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate
SMILESC[C@H](NC(=O)COC(=O)Cc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19FN2O5S/c1-12(14-4-8-16(9-5-14)27(20,24)25)21-17(22)11-26-18(23)10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,22)(H2,20,24,25)/t12-/m0/s1
InChIKeyBZYSCLPPNQZSJC-LBPRGKRZSA-N
XLogP1.44
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate (CID 9198783) is [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate is C[C@H](NC(=O)COC(=O)Cc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is BZYSCLPPNQZSJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-12(14-4-8-16(9-5-14)27(20,24)25)21-17(22)11-26-18(23)10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,22)(H2,20,24,25)/t12-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate?
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 394.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 9198783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).