3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid

C14H10FNO3S — CID 77007163

IUPAC3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccsc1C(=O)Nc1ccccc1F
InChIInChI=1S/C14H10FNO3S/c15-10-3-1-2-4-11(10)16-14(19)13-9(7-8-20-13)5-6-12(17)18/h1-8H,(H,16,19)(H,17,18)
InChIKeyYYAQYMFTOMXSMI-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.24
Rot. Bonds4

About 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid

3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid (PubChem CID 77007163) has the molecular formula C14H10FNO3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
PubChem CID77007163
Molecular FormulaC14H10FNO3S
Molecular Weight291.30 g/mol
Exact Mass291.04
IUPAC Name3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccsc1C(=O)Nc1ccccc1F
InChIInChI=1S/C14H10FNO3S/c15-10-3-1-2-4-11(10)16-14(19)13-9(7-8-20-13)5-6-12(17)18/h1-8H,(H,16,19)(H,17,18)
InChIKeyYYAQYMFTOMXSMI-UHFFFAOYSA-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 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic 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

3-[2-[(3-chloro-4-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77007757
3-[2-[(2,4-dimethylphenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77018317
3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683843
(E)-3-[2-(dimethylaminocarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 83023501
(E)-3-[2-(2,2-difluoroethylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 115408482
3-[2-[(4-fluorophenyl)methylcarbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77007155
3-(2-acetylthiophen-3-yl)prop-2-enoic acid
CID 169460277
(E)-3-[2-(5,5,5-trifluoropentylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 115521958
(E)-3-[2-[(1-methylpyrazol-3-yl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 55238412
3-[2-(1-thiophen-2-ylethylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77006999
3-[2-(hexylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77022102
3-(4-benzamido-3-fluorophenyl)prop-2-enoic acid
CID 76907482

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid?
The IUPAC name of 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid (CID 77007163) is 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid?
The canonical SMILES for 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid is O=C(O)C=Cc1ccsc1C(=O)Nc1ccccc1F.
What is the InChIKey of 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid?
The InChIKey is YYAQYMFTOMXSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3S/c15-10-3-1-2-4-11(10)16-14(19)13-9(7-8-20-13)5-6-12(17)18/h1-8H,(H,16,19)(H,17,18).
What are the key properties of 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid?
3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic 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 3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid is sourced from PubChem (CID 77007163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).