2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid

C14H12FNO4S — CID 43357428

IUPAC2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid
SMILESO=C(CCOc1ccccc1F)Nc1sccc1C(=O)O
InChIInChI=1S/C14H12FNO4S/c15-10-3-1-2-4-11(10)20-7-5-12(17)16-13-9(14(18)19)6-8-21-13/h1-4,6,8H,5,7H2,(H,16,17)(H,18,19)
InChIKeyOYQJYHJSWMDVAM-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.99
Rot. Bonds6

About 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid

2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid (PubChem CID 43357428) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid
PubChem CID43357428
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid
SMILESO=C(CCOc1ccccc1F)Nc1sccc1C(=O)O
InChIInChI=1S/C14H12FNO4S/c15-10-3-1-2-4-11(10)20-7-5-12(17)16-13-9(14(18)19)6-8-21-13/h1-4,6,8H,5,7H2,(H,16,17)(H,18,19)
InChIKeyOYQJYHJSWMDVAM-UHFFFAOYSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid (CID 43357428) is 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid is O=C(CCOc1ccccc1F)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid?
The InChIKey is OYQJYHJSWMDVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-10-3-1-2-4-11(10)20-7-5-12(17)16-13-9(14(18)19)6-8-21-13/h1-4,6,8H,5,7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid?
2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).