[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate

C21H15F3N2O5S — CID 46815244

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2cccs2)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15F3N2O5S/c22-21(23,24)31-16-9-7-14(8-10-16)25-18(27)12-30-20(29)13-3-5-15(6-4-13)26-19(28)17-2-1-11-32-17/h1-11H,12H2,(H,25,27)(H,26,28)
InChIKeyPTJYBHZBXPBYOB-UHFFFAOYSA-N
MW464.42 g/mol
LogP4.69
Rot. Bonds7

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate (PubChem CID 46815244) has the molecular formula C21H15F3N2O5S and a molecular weight of 464.42 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
PubChem CID46815244
Molecular FormulaC21H15F3N2O5S
Molecular Weight464.42 g/mol
Exact Mass464.07
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2cccs2)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15F3N2O5S/c22-21(23,24)31-16-9-7-14(8-10-16)25-18(27)12-30-20(29)13-3-5-15(6-4-13)26-19(28)17-2-1-11-32-17/h1-11H,12H2,(H,25,27)(H,26,28)
InChIKeyPTJYBHZBXPBYOB-UHFFFAOYSA-N
XLogP4.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
CID 7364756
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118810
2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
prop-2-ynyl 4-(thiophene-2-carbonylamino)benzoate
CID 47110953
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-pyrrol-1-ylbenzoate
CID 40690715
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118695
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 43029129
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethyl)benzoate
CID 4559758
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate (CID 46815244) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate is O=C(COC(=O)c1ccc(NC(=O)c2cccs2)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is PTJYBHZBXPBYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O5S/c22-21(23,24)31-16-9-7-14(8-10-16)25-18(27)12-30-20(29)13-3-5-15(6-4-13)26-19(28)17-2-1-11-32-17/h1-11H,12H2,(H,25,27)(H,26,28).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 464.42 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 46815244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).