(E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide

C12H17NOS — CID 2388133

IUPAC(E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCCC(C)(C)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C12H17NOS/c1-4-12(2,3)13-11(14)8-7-10-6-5-9-15-10/h5-9H,4H2,1-3H3,(H,13,14)/b8-7+
InChIKeySRJHQMXXXLYPKH-BQYQJAHWSA-N
MW223.34 g/mol
LogP3.07
Rot. Bonds4

About (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 2388133) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID2388133
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCCC(C)(C)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C12H17NOS/c1-4-12(2,3)13-11(14)8-7-10-6-5-9-15-10/h5-9H,4H2,1-3H3,(H,13,14)/b8-7+
InChIKeySRJHQMXXXLYPKH-BQYQJAHWSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide (CID 2388133) is (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide is CCC(C)(C)NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is SRJHQMXXXLYPKH-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H17NOS/c1-4-12(2,3)13-11(14)8-7-10-6-5-9-15-10/h5-9H,4H2,1-3H3,(H,13,14)/b8-7+.
What are the key properties of (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 223.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2388133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).