2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid

C14H10FNO3S — CID 43357284

IUPAC2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(/C=C/c1ccccc1F)Nc1sccc1C(=O)O
InChIInChI=1S/C14H10FNO3S/c15-11-4-2-1-3-9(11)5-6-12(17)16-13-10(14(18)19)7-8-20-13/h1-8H,(H,16,17)(H,18,19)/b6-5+
InChIKeyVTGBIRNLWJRDRX-AATRIKPKSA-N
MW291.30 g/mol
LogP3.24
Rot. Bonds4

About 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid

2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid (PubChem CID 43357284) has the molecular formula C14H10FNO3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
PubChem CID43357284
Molecular FormulaC14H10FNO3S
Molecular Weight291.30 g/mol
Exact Mass291.04
IUPAC Name2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(/C=C/c1ccccc1F)Nc1sccc1C(=O)O
InChIInChI=1S/C14H10FNO3S/c15-11-4-2-1-3-9(11)5-6-12(17)16-13-10(14(18)19)7-8-20-13/h1-8H,(H,16,17)(H,18,19)/b6-5+
InChIKeyVTGBIRNLWJRDRX-AATRIKPKSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]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

Related Compounds

2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 43357417
4-(4-chlorophenyl)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 59536060
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 43171494
2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 43357230
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
2-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 43171476
(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
(E)-4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 6118974
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid
CID 43357428

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid (CID 43357284) is 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid is O=C(/C=C/c1ccccc1F)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is VTGBIRNLWJRDRX-AATRIKPKSA-N. The full InChI is InChI=1S/C14H10FNO3S/c15-11-4-2-1-3-9(11)5-6-12(17)16-13-10(14(18)19)7-8-20-13/h1-8H,(H,16,17)(H,18,19)/b6-5+.
What are the key properties of 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid?
2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).