(E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide

C13H13NO3S — CID 71798279

IUPAC(E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(O)c1ccoc1
InChIInChI=1S/C13H13NO3S/c15-12(10-5-6-17-9-10)8-14-13(16)4-3-11-2-1-7-18-11/h1-7,9,12,15H,8H2,(H,14,16)/b4-3+
InChIKeyICVVWYRAQLLKHR-ONEGZZNKSA-N
MW263.32 g/mol
LogP2.20
Rot. Bonds5

About (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 71798279) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID71798279
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name(E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(O)c1ccoc1
InChIInChI=1S/C13H13NO3S/c15-12(10-5-6-17-9-10)8-14-13(16)4-3-11-2-1-7-18-11/h1-7,9,12,15H,8H2,(H,14,16)/b4-3+
InChIKeyICVVWYRAQLLKHR-ONEGZZNKSA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide (CID 71798279) is (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC(O)c1ccoc1.
What is the InChIKey of (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ICVVWYRAQLLKHR-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H13NO3S/c15-12(10-5-6-17-9-10)8-14-13(16)4-3-11-2-1-7-18-11/h1-7,9,12,15H,8H2,(H,14,16)/b4-3+.
What are the key properties of (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 263.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71798279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).