[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate

C15H11ClF3NO3S — CID 2350104

IUPAC[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF3NO3S/c16-12-2-1-10(6-11(12)15(17,18)19)20-13(21)7-23-14(22)5-9-3-4-24-8-9/h1-4,6,8H,5,7H2,(H,20,21)
InChIKeyGPWHFAIGXJGBOG-UHFFFAOYSA-N
MW377.77 g/mol
LogP4.14
Rot. Bonds5

About [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2350104) has the molecular formula C15H11ClF3NO3S and a molecular weight of 377.77 g/mol. Its IUPAC name is [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2350104
Molecular FormulaC15H11ClF3NO3S
Molecular Weight377.77 g/mol
Exact Mass377.01
IUPAC Name[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF3NO3S/c16-12-2-1-10(6-11(12)15(17,18)19)20-13(21)7-23-14(22)5-9-3-4-24-8-9/h1-4,6,8H,5,7H2,(H,20,21)
InChIKeyGPWHFAIGXJGBOG-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2078588
2-[(2-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2337009
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
[2-[4-Chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4544371
2-[(3-Fluorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2082796
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2436100
[2-(2-Methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338215
2-[(2-Chlorophenyl)amino]-2-oxoethyl thiophen-2-ylacetate
CID 2352734
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2432435
2-[(3-Chloro-2-methylphenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 4802971
[2-(3-Chloro-4-cyanoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798898
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 803155

Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2350104) is [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is GPWHFAIGXJGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3S/c16-12-2-1-10(6-11(12)15(17,18)19)20-13(21)7-23-14(22)5-9-3-4-24-8-9/h1-4,6,8H,5,7H2,(H,20,21).
What are the key properties of [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 377.77 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2350104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).