2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid

C14H15NO3S — CID 98020866

IUPAC2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid
SMILESCCc1ccc(OC)c(-c2cc(C(=O)O)c(N)s2)c1
InChIInChI=1S/C14H15NO3S/c1-3-8-4-5-11(18-2)9(6-8)12-7-10(14(16)17)13(15)19-12/h4-7H,3,15H2,1-2H3,(H,16,17)
InChIKeyFDDWKTAYBRPKPK-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.27
Rot. Bonds4

About 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid

2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid (PubChem CID 98020866) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid
PubChem CID98020866
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid
SMILESCCc1ccc(OC)c(-c2cc(C(=O)O)c(N)s2)c1
InChIInChI=1S/C14H15NO3S/c1-3-8-4-5-11(18-2)9(6-8)12-7-10(14(16)17)13(15)19-12/h4-7H,3,15H2,1-2H3,(H,16,17)
InChIKeyFDDWKTAYBRPKPK-UHFFFAOYSA-N
XLogP3.27
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-methoxybenzoic acid
CID 20721149
4-ethyl-2-methoxybenzoic acid
CID 18687349
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 82480643
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid
CID 4538129
2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide
CID 145464622
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
CID 43155561
4-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664132
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753
3-amino-4-(5-ethyl-2-methoxyphenyl)-3-methylbutanoic acid
CID 112514639
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid (CID 98020866) is 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid is CCc1ccc(OC)c(-c2cc(C(=O)O)c(N)s2)c1.
What is the InChIKey of 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid?
The InChIKey is FDDWKTAYBRPKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-8-4-5-11(18-2)9(6-8)12-7-10(14(16)17)13(15)19-12/h4-7H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid?
2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 98020866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).