ethyl 4-(2-thiophen-2-ylethylamino)benzoate

C15H17NO2S — CID 13079686

IUPACethyl 4-(2-thiophen-2-ylethylamino)benzoate
SMILESCCOC(=O)c1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-18-15(17)12-5-7-13(8-6-12)16-10-9-14-4-3-11-19-14/h3-8,11,16H,2,9-10H2,1H3
InChIKeyGIGGNNKFGUTORV-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.58
Rot. Bonds6

About ethyl 4-(2-thiophen-2-ylethylamino)benzoate

ethyl 4-(2-thiophen-2-ylethylamino)benzoate (PubChem CID 13079686) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 4-(2-thiophen-2-ylethylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-thiophen-2-ylethylamino)benzoate
PubChem CID13079686
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nameethyl 4-(2-thiophen-2-ylethylamino)benzoate
SMILESCCOC(=O)c1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-18-15(17)12-5-7-13(8-6-12)16-10-9-14-4-3-11-19-14/h3-8,11,16H,2,9-10H2,1H3
InChIKeyGIGGNNKFGUTORV-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-thiophen-2-ylethylamino)benzoate?
The IUPAC name of ethyl 4-(2-thiophen-2-ylethylamino)benzoate (CID 13079686) is ethyl 4-(2-thiophen-2-ylethylamino)benzoate.
What is the SMILES notation for ethyl 4-(2-thiophen-2-ylethylamino)benzoate?
The canonical SMILES for ethyl 4-(2-thiophen-2-ylethylamino)benzoate is CCOC(=O)c1ccc(NCCc2cccs2)cc1.
What is the InChIKey of ethyl 4-(2-thiophen-2-ylethylamino)benzoate?
The InChIKey is GIGGNNKFGUTORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-18-15(17)12-5-7-13(8-6-12)16-10-9-14-4-3-11-19-14/h3-8,11,16H,2,9-10H2,1H3.
What are the key properties of ethyl 4-(2-thiophen-2-ylethylamino)benzoate?
ethyl 4-(2-thiophen-2-ylethylamino)benzoate has a molecular weight of 275.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-thiophen-2-ylethylamino)benzoate is sourced from PubChem (CID 13079686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).