(Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide

C11H15NO2S — CID 143240544

IUPAC(Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide
SMILESC/C=C(\SCC)C(=O)NCc1ccoc1
InChIInChI=1S/C11H15NO2S/c1-3-10(15-4-2)11(13)12-7-9-5-6-14-8-9/h3,5-6,8H,4,7H2,1-2H3,(H,12,13)/b10-3-
InChIKeyGMOUANJKLXEKNT-KMKOMSMNSA-N
MW225.31 g/mol
LogP2.55
Rot. Bonds5

About (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide

(Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide (PubChem CID 143240544) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide
PubChem CID143240544
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide
SMILESC/C=C(\SCC)C(=O)NCc1ccoc1
InChIInChI=1S/C11H15NO2S/c1-3-10(15-4-2)11(13)12-7-9-5-6-14-8-9/h3,5-6,8H,4,7H2,1-2H3,(H,12,13)/b10-3-
InChIKeyGMOUANJKLXEKNT-KMKOMSMNSA-N
XLogP2.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.55
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 (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide?
The IUPAC name of (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide (CID 143240544) is (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide.
What is the SMILES notation for (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide?
The canonical SMILES for (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide is C/C=C(\SCC)C(=O)NCc1ccoc1.
What is the InChIKey of (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide?
The InChIKey is GMOUANJKLXEKNT-KMKOMSMNSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-10(15-4-2)11(13)12-7-9-5-6-14-8-9/h3,5-6,8H,4,7H2,1-2H3,(H,12,13)/b10-3-.
What are the key properties of (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide?
(Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide has a molecular weight of 225.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide is sourced from PubChem (CID 143240544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).