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

C16H19NO3S — CID 63398786

IUPACethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)c(CC)c1N
InChIInChI=1S/C16H19NO3S/c1-4-12-13(17)15(16(18)20-5-2)21-14(12)10-6-8-11(19-3)9-7-10/h6-9H,4-5,17H2,1-3H3
InChIKeyOLFXEFGYOFEXFF-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.74
Rot. Bonds5

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

ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate (PubChem CID 63398786) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
PubChem CID63398786
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Nameethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)c(CC)c1N
InChIInChI=1S/C16H19NO3S/c1-4-12-13(17)15(16(18)20-5-2)21-14(12)10-6-8-11(19-3)9-7-10/h6-9H,4-5,17H2,1-3H3
InChIKeyOLFXEFGYOFEXFF-UHFFFAOYSA-N
XLogP3.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate (CID 63398786) is ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(OC)cc2)c(CC)c1N.
What is the InChIKey of ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate?
The InChIKey is OLFXEFGYOFEXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-12-13(17)15(16(18)20-5-2)21-14(12)10-6-8-11(19-3)9-7-10/h6-9H,4-5,17H2,1-3H3.
What are the key properties of ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate?
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 63398786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).