(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide

C11H15NOS — CID 2405120

IUPAC(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H15NOS/c1-11(2,3)12-10(13)7-6-9-5-4-8-14-9/h4-8H,1-3H3,(H,12,13)/b7-6+
InChIKeyRYWNUUHZSFKMBH-VOTSOKGWSA-N
MW209.31 g/mol
LogP2.68
Rot. Bonds2

About (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide

(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 2405120) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide
PubChem CID2405120
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H15NOS/c1-11(2,3)12-10(13)7-6-9-5-4-8-14-9/h4-8H,1-3H3,(H,12,13)/b7-6+
InChIKeyRYWNUUHZSFKMBH-VOTSOKGWSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.68
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-tert-butyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide (CID 2405120) is (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide is CC(C)(C)NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RYWNUUHZSFKMBH-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H15NOS/c1-11(2,3)12-10(13)7-6-9-5-4-8-14-9/h4-8H,1-3H3,(H,12,13)/b7-6+.
What are the key properties of (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 209.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2405120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).