methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate

C14H15NO3S — CID 2756418

IUPACmethyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate
SMILESCCOc1ccc(-c2cc(N)c(C(=O)OC)s2)cc1
InChIInChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8-11(15)13(19-12)14(16)17-2/h4-8H,3,15H2,1-2H3
InChIKeyKOGXJKJPBBNEFK-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.18
Rot. Bonds4

About methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate

methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate (PubChem CID 2756418) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate
PubChem CID2756418
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate
SMILESCCOc1ccc(-c2cc(N)c(C(=O)OC)s2)cc1
InChIInChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8-11(15)13(19-12)14(16)17-2/h4-8H,3,15H2,1-2H3
InChIKeyKOGXJKJPBBNEFK-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

Analyze methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate (CID 2756418) is methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate is CCOc1ccc(-c2cc(N)c(C(=O)OC)s2)cc1.
What is the InChIKey of methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate?
The InChIKey is KOGXJKJPBBNEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8-11(15)13(19-12)14(16)17-2/h4-8H,3,15H2,1-2H3.
What are the key properties of methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate?
methyl 3-amino-5-(4-ethoxyphenyl)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 methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 2756418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).