3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid

C15H17NO3S — CID 83034427

IUPAC3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
SMILESCCOc1ccc(-c2sc(C(=O)O)c(N)c2CC)cc1
InChIInChI=1S/C15H17NO3S/c1-3-11-12(16)14(15(17)18)20-13(11)9-5-7-10(8-6-9)19-4-2/h5-8H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyZEYAMLTYQVVPFN-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.66
Rot. Bonds5

About 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid

3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid (PubChem CID 83034427) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
PubChem CID83034427
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
SMILESCCOc1ccc(-c2sc(C(=O)O)c(N)c2CC)cc1
InChIInChI=1S/C15H17NO3S/c1-3-11-12(16)14(15(17)18)20-13(11)9-5-7-10(8-6-9)19-4-2/h5-8H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyZEYAMLTYQVVPFN-UHFFFAOYSA-N
XLogP3.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83036198
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
3-amino-5-(3-bromo-4-methoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83035166
methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
CID 61312784
ethyl 3-amino-5-(3-bromo-4-fluorophenyl)-4-ethylthiophene-2-carboxylate
CID 107955531
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510956
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861
4-amino-2-(4-ethoxyphenyl)benzoic acid
CID 82299863
4-(4-ethoxyphenyl)benzamide
CID 163572533
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid
CID 167471153

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid (CID 83034427) is 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid is CCOc1ccc(-c2sc(C(=O)O)c(N)c2CC)cc1.
What is the InChIKey of 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid?
The InChIKey is ZEYAMLTYQVVPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-11-12(16)14(15(17)18)20-13(11)9-5-7-10(8-6-9)19-4-2/h5-8H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid?
3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 83034427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).