3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid

C13H10FNO3S2 — CID 43357983

IUPAC3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(CSc1ccccc1F)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H10FNO3S2/c14-8-3-1-2-4-10(8)20-7-11(16)15-9-5-6-19-12(9)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyZUTWVZKUXGPZPW-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.32
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid

3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43357983) has the molecular formula C13H10FNO3S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
PubChem CID43357983
Molecular FormulaC13H10FNO3S2
Molecular Weight311.36 g/mol
Exact Mass311.01
IUPAC Name3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(CSc1ccccc1F)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H10FNO3S2/c14-8-3-1-2-4-10(8)20-7-11(16)15-9-5-6-19-12(9)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyZUTWVZKUXGPZPW-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid (CID 43357983) is 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid is O=C(CSc1ccccc1F)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is ZUTWVZKUXGPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S2/c14-8-3-1-2-4-10(8)20-7-11(16)15-9-5-6-19-12(9)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid?
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43357983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).