2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid

C13H13NO3S — CID 53443474

IUPAC2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
SMILESCCOc1ccc(-c2csc(N)c2C(=O)O)cc1
InChIInChI=1S/C13H13NO3S/c1-2-17-9-5-3-8(4-6-9)10-7-18-12(14)11(10)13(15)16/h3-7H,2,14H2,1H3,(H,15,16)
InChIKeyZQWJPRLONWFBIT-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid

2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid (PubChem CID 53443474) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
PubChem CID53443474
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
SMILESCCOc1ccc(-c2csc(N)c2C(=O)O)cc1
InChIInChI=1S/C13H13NO3S/c1-2-17-9-5-3-8(4-6-9)10-7-18-12(14)11(10)13(15)16/h3-7H,2,14H2,1H3,(H,15,16)
InChIKeyZQWJPRLONWFBIT-UHFFFAOYSA-N
XLogP3.09
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
2-[(3-bromobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 23736184
4-(4-ethoxyphenyl)-2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 23848206
ethyl 2-benzamido-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 2218990
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861
4-amino-2-(4-ethoxyphenyl)benzoic acid
CID 82299863
2-amino-N,N-diethyl-4-phenylthiophene-3-carboxamide
CID 82056870
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 71614908
ethyl 4-(4-ethoxyphenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 35569964
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid (CID 53443474) is 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid is CCOc1ccc(-c2csc(N)c2C(=O)O)cc1.
What is the InChIKey of 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid?
The InChIKey is ZQWJPRLONWFBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-17-9-5-3-8(4-6-9)10-7-18-12(14)11(10)13(15)16/h3-7H,2,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid?
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 53443474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).