(E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide

C11H14ClNO2S — CID 82724393

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
SMILESCC(C)(C)ONC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c1-11(2,3)15-13-10(14)7-5-8-4-6-9(12)16-8/h4-7H,1-3H3,(H,13,14)/b7-5+
InChIKeyUEPXGKCGXFDBTM-FNORWQNLSA-N
MW259.76 g/mol
LogP3.26
Rot. Bonds3

About (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide (PubChem CID 82724393) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
PubChem CID82724393
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
SMILESCC(C)(C)ONC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c1-11(2,3)15-13-10(14)7-5-8-4-6-9(12)16-8/h4-7H,1-3H3,(H,13,14)/b7-5+
InChIKeyUEPXGKCGXFDBTM-FNORWQNLSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide (CID 82724393) is (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide is CC(C)(C)ONC(=O)/C=C/c1ccc(Cl)s1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide?
The InChIKey is UEPXGKCGXFDBTM-FNORWQNLSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-11(2,3)15-13-10(14)7-5-8-4-6-9(12)16-8/h4-7H,1-3H3,(H,13,14)/b7-5+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide has a molecular weight of 259.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide is sourced from PubChem (CID 82724393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).