ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate

C15H17NO2S — CID 43332697

IUPACethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(CC)cc2)cc1N
InChIInChI=1S/C15H17NO2S/c1-3-10-5-7-11(8-6-10)13-9-12(16)14(19-13)15(17)18-4-2/h5-9H,3-4,16H2,1-2H3
InChIKeyWZFQRBWTPQLHQK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.74
Rot. Bonds4

About ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate

ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate (PubChem CID 43332697) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
PubChem CID43332697
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nameethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(CC)cc2)cc1N
InChIInChI=1S/C15H17NO2S/c1-3-10-5-7-11(8-6-10)13-9-12(16)14(19-13)15(17)18-4-2/h5-9H,3-4,16H2,1-2H3
InChIKeyWZFQRBWTPQLHQK-UHFFFAOYSA-N
XLogP3.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate (CID 43332697) is ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(CC)cc2)cc1N.
What is the InChIKey of ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The InChIKey is WZFQRBWTPQLHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-10-5-7-11(8-6-10)13-9-12(16)14(19-13)15(17)18-4-2/h5-9H,3-4,16H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 43332697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).