3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

C14H10FNO3S — CID 79683843

IUPAC3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cc(C(=O)Nc2ccccc2F)cs1
InChIInChI=1S/C14H10FNO3S/c15-11-3-1-2-4-12(11)16-14(19)9-7-10(20-8-9)5-6-13(17)18/h1-8H,(H,16,19)(H,17,18)
InChIKeyFJLHCEJAYXNXIT-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.24
Rot. Bonds4

About 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid (PubChem CID 79683843) has the molecular formula C14H10FNO3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
PubChem CID79683843
Molecular FormulaC14H10FNO3S
Molecular Weight291.30 g/mol
Exact Mass291.04
IUPAC Name3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cc(C(=O)Nc2ccccc2F)cs1
InChIInChI=1S/C14H10FNO3S/c15-11-3-1-2-4-12(11)16-14(19)9-7-10(20-8-9)5-6-13(17)18/h1-8H,(H,16,19)(H,17,18)
InChIKeyFJLHCEJAYXNXIT-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'}

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Related Compounds

(E)-3-[4-[(3-fluoro-4-pyridinyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 107595376
3-[4-[(3-fluoro-4-methylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79692282
3-[2-[(2-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77007163
3-[4-[(3-methylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683617
3-(4-benzamido-3-fluorophenyl)prop-2-enoic acid
CID 76907482
3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79684734
3-[4-(1H-pyrazol-4-ylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79684085
3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79692489
2,6-difluoro-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 148924135
3-[4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79691939
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid (CID 79683843) is 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid is O=C(O)C=Cc1cc(C(=O)Nc2ccccc2F)cs1.
What is the InChIKey of 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The InChIKey is FJLHCEJAYXNXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3S/c15-11-3-1-2-4-12(11)16-14(19)9-7-10(20-8-9)5-6-13(17)18/h1-8H,(H,16,19)(H,17,18).
What are the key properties of 3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-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-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 79683843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).