[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

C22H23F3N2O5S — CID 41144264

IUPAC[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
SMILESO=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H23F3N2O5S/c23-22(24,25)16-7-4-8-17(13-16)33(30,31)26-12-11-21(29)32-14-20(28)27-19-10-3-6-15-5-1-2-9-18(15)19/h1-2,4-5,7-9,13,19,26H,3,6,10-12,14H2,(H,27,28)/t19-/m1/s1
InChIKeyJAWBGHXFOLSPDI-LJQANCHMSA-N
MW484.50 g/mol
LogP3.11
Rot. Bonds8

About [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate (PubChem CID 41144264) has the molecular formula C22H23F3N2O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
PubChem CID41144264
Molecular FormulaC22H23F3N2O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
SMILESO=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H23F3N2O5S/c23-22(24,25)16-7-4-8-17(13-16)33(30,31)26-12-11-21(29)32-14-20(28)27-19-10-3-6-15-5-1-2-9-18(15)19/h1-2,4-5,7-9,13,19,26H,3,6,10-12,14H2,(H,27,28)/t19-/m1/s1
InChIKeyJAWBGHXFOLSPDI-LJQANCHMSA-N
XLogP3.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 69349407
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-(methylsulfamoyl)benzoate
CID 2605704
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxopentanoate
CID 8613358
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584101
[2-(2-acetylanilino)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2601036
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2601065
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
CID 2544531
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
CID 2544534
2-methoxyethyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 43050757
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-cyclopentylacetate
CID 23848552

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate (CID 41144264) is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate is O=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate?
The InChIKey is JAWBGHXFOLSPDI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23F3N2O5S/c23-22(24,25)16-7-4-8-17(13-16)33(30,31)26-12-11-21(29)32-14-20(28)27-19-10-3-6-15-5-1-2-9-18(15)19/h1-2,4-5,7-9,13,19,26H,3,6,10-12,14H2,(H,27,28)/t19-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate?
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate has a molecular weight of 484.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate is sourced from PubChem (CID 41144264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).