ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate

C16H14F3NO3S — CID 2359590

IUPACethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C16H14F3NO3S/c1-3-23-15(22)13-9(2)8-12(24-13)20-14(21)10-6-4-5-7-11(10)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,21)
InChIKeyDFLQLPWVFGGNSA-UHFFFAOYSA-N
MW357.35 g/mol
LogP4.50
Rot. Bonds4

About ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate (PubChem CID 2359590) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate
PubChem CID2359590
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Nameethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C16H14F3NO3S/c1-3-23-15(22)13-9(2)8-12(24-13)20-14(21)10-6-4-5-7-11(10)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,21)
InChIKeyDFLQLPWVFGGNSA-UHFFFAOYSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate (CID 2359590) is ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccccc2C(F)(F)F)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate?
The InChIKey is DFLQLPWVFGGNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-3-23-15(22)13-9(2)8-12(24-13)20-14(21)10-6-4-5-7-11(10)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate has a molecular weight of 357.35 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 2359590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).