2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid

C16H10FNO3S2 — CID 762490

IUPAC2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2cccs2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H10FNO3S2/c17-10-5-3-9(4-6-10)14(19)18-15-13(16(20)21)11(8-23-15)12-2-1-7-22-12/h1-8H,(H,18,19)(H,20,21)
InChIKeyPMYHRLOLKAFCSR-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.57
Rot. Bonds4

About 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid

2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid (PubChem CID 762490) has the molecular formula C16H10FNO3S2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid
PubChem CID762490
Molecular FormulaC16H10FNO3S2
Molecular Weight347.39 g/mol
Exact Mass347.01
IUPAC Name2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2cccs2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H10FNO3S2/c17-10-5-3-9(4-6-10)14(19)18-15-13(16(20)21)11(8-23-15)12-2-1-7-22-12/h1-8H,(H,18,19)(H,20,21)
InChIKeyPMYHRLOLKAFCSR-UHFFFAOYSA-N
XLogP4.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid (CID 762490) is 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid is O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid?
The InChIKey is PMYHRLOLKAFCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3S2/c17-10-5-3-9(4-6-10)14(19)18-15-13(16(20)21)11(8-23-15)12-2-1-7-22-12/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid?
2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid has a molecular weight of 347.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 762490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).