4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid

C16H14FNO4S — CID 18517754

IUPAC4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid
SMILESO=C(O)CCC(NC(=O)c1ccc(F)cc1)C(=O)c1ccsc1
InChIInChI=1S/C16H14FNO4S/c17-12-3-1-10(2-4-12)16(22)18-13(5-6-14(19)20)15(21)11-7-8-23-9-11/h1-4,7-9,13H,5-6H2,(H,18,22)(H,19,20)
InChIKeyOSKAAYHPHMYXCZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.73
Rot. Bonds7

About 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid

4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid (PubChem CID 18517754) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid.

Molecular Properties

Compound Name4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid
PubChem CID18517754
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid
SMILESO=C(O)CCC(NC(=O)c1ccc(F)cc1)C(=O)c1ccsc1
InChIInChI=1S/C16H14FNO4S/c17-12-3-1-10(2-4-12)16(22)18-13(5-6-14(19)20)15(21)11-7-8-23-9-11/h1-4,7-9,13H,5-6H2,(H,18,22)(H,19,20)
InChIKeyOSKAAYHPHMYXCZ-UHFFFAOYSA-N
XLogP2.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid?
The IUPAC name of 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid (CID 18517754) is 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid.
What is the SMILES notation for 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid?
The canonical SMILES for 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid is O=C(O)CCC(NC(=O)c1ccc(F)cc1)C(=O)c1ccsc1.
What is the InChIKey of 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid?
The InChIKey is OSKAAYHPHMYXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c17-12-3-1-10(2-4-12)16(22)18-13(5-6-14(19)20)15(21)11-7-8-23-9-11/h1-4,7-9,13H,5-6H2,(H,18,22)(H,19,20).
What are the key properties of 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid?
4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid has a molecular weight of 335.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorobenzoyl)amino]-5-oxo-5-thiophen-3-ylpentanoic acid is sourced from PubChem (CID 18517754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).