methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate

C11H12F3NO3S — CID 679027

IUPACmethyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)C(F)(F)F)c1C(=O)OC
InChIInChI=1S/C11H12F3NO3S/c1-4-6-5(2)19-8(7(6)9(16)18-3)15-10(17)11(12,13)14/h4H2,1-3H3,(H,15,17)
InChIKeyUUGZXEBOKUOBMI-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.91
Rot. Bonds3

About methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate

methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate (PubChem CID 679027) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
PubChem CID679027
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Namemethyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)C(F)(F)F)c1C(=O)OC
InChIInChI=1S/C11H12F3NO3S/c1-4-6-5(2)19-8(7(6)9(16)18-3)15-10(17)11(12,13)14/h4H2,1-3H3,(H,15,17)
InChIKeyUUGZXEBOKUOBMI-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate (CID 679027) is methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate is CCc1c(C)sc(NC(=O)C(F)(F)F)c1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The InChIKey is UUGZXEBOKUOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-4-6-5(2)19-8(7(6)9(16)18-3)15-10(17)11(12,13)14/h4H2,1-3H3,(H,15,17).
What are the key properties of methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate has a molecular weight of 295.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 679027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).