ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate

C16H14ClF3N2O4S — CID 24566355

IUPACethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1C
InChIInChI=1S/C16H14ClF3N2O4S/c1-3-26-15(25)13-8(2)4-12(27-13)21-11(23)7-22-6-9(16(18,19)20)5-10(17)14(22)24/h4-6H,3,7H2,1-2H3,(H,21,23)
InChIKeyJHSJYPPMPXYIMX-UHFFFAOYSA-N
MW422.81 g/mol
LogP3.71
Rot. Bonds5

About ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 24566355) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID24566355
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC Nameethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1C
InChIInChI=1S/C16H14ClF3N2O4S/c1-3-26-15(25)13-8(2)4-12(27-13)21-11(23)7-22-6-9(16(18,19)20)5-10(17)14(22)24/h4-6H,3,7H2,1-2H3,(H,21,23)
InChIKeyJHSJYPPMPXYIMX-UHFFFAOYSA-N
XLogP3.71
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-3-carboxylate
CID 24566335
ethyl 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 5094814
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
methyl 1-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55665215
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
ethyl 5-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24569681
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5001004
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 24566356
ethyl 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 71606958
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 47015092
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate (CID 24566355) is ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1C.
What is the InChIKey of ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is JHSJYPPMPXYIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c1-3-26-15(25)13-8(2)4-12(27-13)21-11(23)7-22-6-9(16(18,19)20)5-10(17)14(22)24/h4-6H,3,7H2,1-2H3,(H,21,23).
What are the key properties of ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 422.81 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 24566355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).