(E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C13H13NO2S — CID 2675114

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccs2)o1
InChIInChI=1S/C13H13NO2S/c1-10-4-5-11(16-10)6-7-13(15)14-9-12-3-2-8-17-12/h2-8H,9H2,1H3,(H,14,15)/b7-6+
InChIKeyQCQDJZKFYBCOKK-VOTSOKGWSA-N
MW247.32 g/mol
LogP2.98
Rot. Bonds4

About (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 2675114) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID2675114
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccs2)o1
InChIInChI=1S/C13H13NO2S/c1-10-4-5-11(16-10)6-7-13(15)14-9-12-3-2-8-17-12/h2-8H,9H2,1H3,(H,14,15)/b7-6+
InChIKeyQCQDJZKFYBCOKK-VOTSOKGWSA-N
XLogP2.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 2675114) is (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2cccs2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is QCQDJZKFYBCOKK-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10-4-5-11(16-10)6-7-13(15)14-9-12-3-2-8-17-12/h2-8H,9H2,1H3,(H,14,15)/b7-6+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 247.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 2675114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).