[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C22H18F3NO3S — CID 46828730

IUPAC[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C22H18F3NO3S/c23-22(24,25)17-9-4-6-15(12-17)13-20(28)29-14-19(27)26-21(18-10-5-11-30-18)16-7-2-1-3-8-16/h1-12,21H,13-14H2,(H,26,27)
InChIKeyPHIDHEYYPBCSMS-UHFFFAOYSA-N
MW433.45 g/mol
LogP4.76
Rot. Bonds7

About [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 46828730) has the molecular formula C22H18F3NO3S and a molecular weight of 433.45 g/mol. Its IUPAC name is [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID46828730
Molecular FormulaC22H18F3NO3S
Molecular Weight433.45 g/mol
Exact Mass433.10
IUPAC Name[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C22H18F3NO3S/c23-22(24,25)17-9-4-6-15(12-17)13-20(28)29-14-19(27)26-21(18-10-5-11-30-18)16-7-2-1-3-8-16/h1-12,21H,13-14H2,(H,26,27)
InChIKeyPHIDHEYYPBCSMS-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate 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-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(2-nitrophenyl)acetate
CID 9344318
[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854042
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2,6-difluorobenzoate
CID 46828846
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3,4-difluorobenzoate
CID 9490821
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013675
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-thiophen-3-ylpropanoate
CID 8631099
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230022
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 46606399
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-acetamidobenzoate
CID 9491556
cis-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230605

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 46828730) is [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate is O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1cccs1.
What is the InChIKey of [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is PHIDHEYYPBCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3S/c23-22(24,25)17-9-4-6-15(12-17)13-20(28)29-14-19(27)26-21(18-10-5-11-30-18)16-7-2-1-3-8-16/h1-12,21H,13-14H2,(H,26,27).
What are the key properties of [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 433.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 46828730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).