2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid

C19H14FNO4S — CID 1332955

IUPAC2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)c2C(=O)O)cc1
InChIInChI=1S/C19H14FNO4S/c1-25-14-8-4-11(5-9-14)15-10-26-18(16(15)19(23)24)21-17(22)12-2-6-13(20)7-3-12/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyLSJJTFOBTBKNPK-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.51
Rot. Bonds5

About 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid

2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid (PubChem CID 1332955) has the molecular formula C19H14FNO4S and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
PubChem CID1332955
Molecular FormulaC19H14FNO4S
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Name2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)c2C(=O)O)cc1
InChIInChI=1S/C19H14FNO4S/c1-25-14-8-4-11(5-9-14)15-10-26-18(16(15)19(23)24)21-17(22)12-2-6-13(20)7-3-12/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyLSJJTFOBTBKNPK-UHFFFAOYSA-N
XLogP4.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid (CID 1332955) is 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid is COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)c2C(=O)O)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid?
The InChIKey is LSJJTFOBTBKNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4S/c1-25-14-8-4-11(5-9-14)15-10-26-18(16(15)19(23)24)21-17(22)12-2-6-13(20)7-3-12/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid?
2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 4.51, 5 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-(4-methoxyphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 1332955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).