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

C16H15F3N2O4S — CID 51284676

IUPACethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C
InChIInChI=1S/C16H15F3N2O4S/c1-3-25-15(24)14-9(2)6-12(26-14)20-11(22)8-21-7-10(16(17,18)19)4-5-13(21)23/h4-7H,3,8H2,1-2H3,(H,20,22)
InChIKeyRILONCQOQBZDQK-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.05
Rot. Bonds5

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

ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate (PubChem CID 51284676) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
PubChem CID51284676
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Nameethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C
InChIInChI=1S/C16H15F3N2O4S/c1-3-25-15(24)14-9(2)6-12(26-14)20-11(22)8-21-7-10(16(17,18)19)4-5-13(21)23/h4-7H,3,8H2,1-2H3,(H,20,22)
InChIKeyRILONCQOQBZDQK-UHFFFAOYSA-N
XLogP3.05
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Ethyl 3-methyl-5-pivalamidothiophene-2-carboxylate
CID 4091038
Ethyl 5-(cyclopropanecarboxamido)-3-methylthiophene-2-carboxylate
CID 5310206
Ethyl 5-acetamido-3-methylthiophene-2-carboxylate
CID 1215212
ethyl 5-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiophene-2-carboxylate
CID 2331094
Ethyl 3-methyl-5-(1-(methylsulfonyl)piperidine-2-carboxamido)thiophene-2-carboxylate
CID 44086869
Ethyl 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2111223
ethyl 5-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylate
CID 2349251
Ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate
CID 2359590
Ethyl 4,5-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-3-carboxylate
CID 2385025
Ethyl 4,5-dimethyl-2-[[2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 2508442
Ethyl 2-[[2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2658666
[2-[[3-Ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 2658889

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate (CID 51284676) is ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is RILONCQOQBZDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-3-25-15(24)14-9(2)6-12(26-14)20-11(22)8-21-7-10(16(17,18)19)4-5-13(21)23/h4-7H,3,8H2,1-2H3,(H,20,22).
What are the key properties of ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 388.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 51284676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).