[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C20H21F3N2O7S — CID 42463396

IUPAC[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O7S/c1-13(25-33(28,29)16-9-7-15(30-2)8-10-16)19(27)31-12-18(26)24-11-14-5-3-4-6-17(14)32-20(21,22)23/h3-10,13,25H,11-12H2,1-2H3,(H,24,26)/t13-/m0/s1
InChIKeyDAPYPXJMCZXKGW-ZDUSSCGKSA-N
MW490.46 g/mol
LogP2.12
Rot. Bonds10

About [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 42463396) has the molecular formula C20H21F3N2O7S and a molecular weight of 490.46 g/mol. Its IUPAC name is [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID42463396
Molecular FormulaC20H21F3N2O7S
Molecular Weight490.46 g/mol
Exact Mass490.10
IUPAC Name[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O7S/c1-13(25-33(28,29)16-9-7-15(30-2)8-10-16)19(27)31-12-18(26)24-11-14-5-3-4-6-17(14)32-20(21,22)23/h3-10,13,25H,11-12H2,1-2H3,(H,24,26)/t13-/m0/s1
InChIKeyDAPYPXJMCZXKGW-ZDUSSCGKSA-N
XLogP2.12
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560631
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927410
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 42463282
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927809
[2-oxo-2-(4-phenoxyanilino)ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927905
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843274
methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 55936701
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323630
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489042
3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34554888
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 42463396) is [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is DAPYPXJMCZXKGW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21F3N2O7S/c1-13(25-33(28,29)16-9-7-15(30-2)8-10-16)19(27)31-12-18(26)24-11-14-5-3-4-6-17(14)32-20(21,22)23/h3-10,13,25H,11-12H2,1-2H3,(H,24,26)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 490.46 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 42463396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).