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

C14H15NO3S — CID 825579

IUPACethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)cc1N
InChIInChI=1S/C14H15NO3S/c1-3-18-14(16)13-11(15)8-12(19-13)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
InChIKeyZEMJHAZGTAILJN-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.18
Rot. Bonds4

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

ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate (PubChem CID 825579) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate
PubChem CID825579
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)cc1N
InChIInChI=1S/C14H15NO3S/c1-3-18-14(16)13-11(15)8-12(19-13)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
InChIKeyZEMJHAZGTAILJN-UHFFFAOYSA-N
XLogP3.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate (CID 825579) is ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1N.
What is the InChIKey of ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate?
The InChIKey is ZEMJHAZGTAILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-14(16)13-11(15)8-12(19-13)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate?
ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 825579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).