2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid

C14H13NO5S — CID 43357234

IUPAC2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
SMILESCOc1ccc(OCC(=O)Nc2sccc2C(=O)O)cc1
InChIInChI=1S/C14H13NO5S/c1-19-9-2-4-10(5-3-9)20-8-12(16)15-13-11(14(17)18)6-7-21-13/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyLOTWPTABTNLHRO-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.47
Rot. Bonds6

About 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid

2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid (PubChem CID 43357234) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
PubChem CID43357234
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
SMILESCOc1ccc(OCC(=O)Nc2sccc2C(=O)O)cc1
InChIInChI=1S/C14H13NO5S/c1-19-9-2-4-10(5-3-9)20-8-12(16)15-13-11(14(17)18)6-7-21-13/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyLOTWPTABTNLHRO-UHFFFAOYSA-N
XLogP2.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid (CID 43357234) is 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid is COc1ccc(OCC(=O)Nc2sccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is LOTWPTABTNLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-19-9-2-4-10(5-3-9)20-8-12(16)15-13-11(14(17)18)6-7-21-13/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).