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

C17H16F3NO3S — CID 2799307

IUPACethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3S/c1-3-12-9-13(16(23)24-4-2)15(25-12)21-14(22)10-6-5-7-11(8-10)17(18,19)20/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyGKGMBAFSZNGCNW-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.76
Rot. Bonds5

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

ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate (PubChem CID 2799307) has the molecular formula C17H16F3NO3S and a molecular weight of 371.38 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate
PubChem CID2799307
Molecular FormulaC17H16F3NO3S
Molecular Weight371.38 g/mol
Exact Mass371.08
IUPAC Nameethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3S/c1-3-12-9-13(16(23)24-4-2)15(25-12)21-14(22)10-6-5-7-11(8-10)17(18,19)20/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyGKGMBAFSZNGCNW-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate (CID 2799307) is ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate?
The InChIKey is GKGMBAFSZNGCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S/c1-3-12-9-13(16(23)24-4-2)15(25-12)21-14(22)10-6-5-7-11(8-10)17(18,19)20/h5-9H,3-4H2,1-2H3,(H,21,22).
What are the key properties of ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate has a molecular weight of 371.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2799307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).