[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate

C18H17F3N2O5S — CID 46508205

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C18H17F3N2O5S/c1-11(24)22-14(15-3-2-8-29-15)9-17(26)27-10-16(25)23-12-4-6-13(7-5-12)28-18(19,20)21/h2-8,14H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyGOXVTWLWKGHJPV-UHFFFAOYSA-N
MW430.40 g/mol
LogP3.40
Rot. Bonds8

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate (PubChem CID 46508205) has the molecular formula C18H17F3N2O5S and a molecular weight of 430.40 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
PubChem CID46508205
Molecular FormulaC18H17F3N2O5S
Molecular Weight430.40 g/mol
Exact Mass430.08
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C18H17F3N2O5S/c1-11(24)22-14(15-3-2-8-29-15)9-17(26)27-10-16(25)23-12-4-6-13(7-5-12)28-18(19,20)21/h2-8,14H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyGOXVTWLWKGHJPV-UHFFFAOYSA-N
XLogP3.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46601070
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46695161
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 55508832
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46694823
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46695206
3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide
CID 46593487
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41217571
propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate
CID 112723428

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate (CID 46508205) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate is CC(=O)NC(CC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The InChIKey is GOXVTWLWKGHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5S/c1-11(24)22-14(15-3-2-8-29-15)9-17(26)27-10-16(25)23-12-4-6-13(7-5-12)28-18(19,20)21/h2-8,14H,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate has a molecular weight of 430.40 g/mol, XLogP of 3.40, 8 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] 3-acetamido-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46508205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).