ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate

C15H17NO3S — CID 703945

IUPACethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OCC)cc2)csc1N
InChIInChI=1S/C15H17NO3S/c1-3-18-11-7-5-10(6-8-11)12-9-20-14(16)13(12)15(17)19-4-2/h5-9H,3-4,16H2,1-2H3
InChIKeyAIKLQCJSBQOIDZ-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.57
Rot. Bonds5

About ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate

ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate (PubChem CID 703945) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
PubChem CID703945
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OCC)cc2)csc1N
InChIInChI=1S/C15H17NO3S/c1-3-18-11-7-5-10(6-8-11)12-9-20-14(16)13(12)15(17)19-4-2/h5-9H,3-4,16H2,1-2H3
InChIKeyAIKLQCJSBQOIDZ-UHFFFAOYSA-N
XLogP3.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
ethyl 4-(4-ethoxyphenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 35569964
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
ethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 28693073
ethyl 2-benzamido-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 2218990
ethyl 2-[3-(4-ethoxyphenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 4184724
benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 71614908

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate (CID 703945) is ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1N.
What is the InChIKey of ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
The InChIKey is AIKLQCJSBQOIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-18-11-7-5-10(6-8-11)12-9-20-14(16)13(12)15(17)19-4-2/h5-9H,3-4,16H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 703945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).