3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid

C15H14N2O3S — CID 79692489

IUPAC3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cc(C(=O)NCCc2ccncc2)cs1
InChIInChI=1S/C15H14N2O3S/c18-14(19)2-1-13-9-12(10-21-13)15(20)17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9-10H,5,8H2,(H,17,20)(H,18,19)
InChIKeyRFAWFGBVWFNLOH-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.21
Rot. Bonds6

About 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid

3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid (PubChem CID 79692489) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
PubChem CID79692489
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cc(C(=O)NCCc2ccncc2)cs1
InChIInChI=1S/C15H14N2O3S/c18-14(19)2-1-13-9-12(10-21-13)15(20)17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9-10H,5,8H2,(H,17,20)(H,18,19)
InChIKeyRFAWFGBVWFNLOH-UHFFFAOYSA-N
XLogP2.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79690462
3-[4-(1,3-thiazol-2-ylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79691555
3-[4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79691939
5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696892
(E)-3-[4-(1,2-oxazol-3-ylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 81178535
(E)-3-[4-[(3-fluoro-4-pyridinyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 107595376
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683843
3-[4-(tert-butylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79684255
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
3-[4-[(3-fluoro-4-methylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79692282
5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid (CID 79692489) is 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid is O=C(O)C=Cc1cc(C(=O)NCCc2ccncc2)cs1.
What is the InChIKey of 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid?
The InChIKey is RFAWFGBVWFNLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-14(19)2-1-13-9-12(10-21-13)15(20)17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9-10H,5,8H2,(H,17,20)(H,18,19).
What are the key properties of 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid?
3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid has a molecular weight of 302.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 79692489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).