3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid

C15H17NO4S — CID 83036757

IUPAC3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
SMILESCCc1c(-c2ccc(OC)cc2OC)sc(C(=O)O)c1N
InChIInChI=1S/C15H17NO4S/c1-4-9-12(16)14(15(17)18)21-13(9)10-6-5-8(19-2)7-11(10)20-3/h5-7H,4,16H2,1-3H3,(H,17,18)
InChIKeyKMRMRFBXJSJKKV-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.28
Rot. Bonds5

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

3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid (PubChem CID 83036757) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
PubChem CID83036757
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
SMILESCCc1c(-c2ccc(OC)cc2OC)sc(C(=O)O)c1N
InChIInChI=1S/C15H17NO4S/c1-4-9-12(16)14(15(17)18)21-13(9)10-6-5-8(19-2)7-11(10)20-3/h5-7H,4,16H2,1-3H3,(H,17,18)
InChIKeyKMRMRFBXJSJKKV-UHFFFAOYSA-N
XLogP3.28
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3-bromo-4-methoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83035166
3-amino-5-(2-chloro-4-methylphenyl)-4-ethylthiophene-2-carboxylic acid
CID 106861777
3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83034674
3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83034427
5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510708
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
3-amino-5-(2-methoxy-4-nitrophenyl)-4-methylthiophene-2-carboxylic acid
CID 104783575
3-amino-4-ethyl-5-(2-methyl-5-nitrophenyl)thiophene-2-carboxylic acid
CID 83035299
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
CID 61312784
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid (CID 83036757) is 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid is CCc1c(-c2ccc(OC)cc2OC)sc(C(=O)O)c1N.
What is the InChIKey of 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid?
The InChIKey is KMRMRFBXJSJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-4-9-12(16)14(15(17)18)21-13(9)10-6-5-8(19-2)7-11(10)20-3/h5-7H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid?
3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 83036757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).