3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide

C11H15NOS — CID 114618465

IUPAC3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
SMILESC=C(C)CNC(=O)c1sccc1CC
InChIInChI=1S/C11H15NOS/c1-4-9-5-6-14-10(9)11(13)12-7-8(2)3/h5-6H,2,4,7H2,1,3H3,(H,12,13)
InChIKeyQRTGTNLADFPGOE-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.62
Rot. Bonds4

About 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide

3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide (PubChem CID 114618465) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
PubChem CID114618465
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
SMILESC=C(C)CNC(=O)c1sccc1CC
InChIInChI=1S/C11H15NOS/c1-4-9-5-6-14-10(9)11(13)12-7-8(2)3/h5-6H,2,4,7H2,1,3H3,(H,12,13)
InChIKeyQRTGTNLADFPGOE-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide (CID 114618465) is 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide is C=C(C)CNC(=O)c1sccc1CC.
What is the InChIKey of 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide?
The InChIKey is QRTGTNLADFPGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-4-9-5-6-14-10(9)11(13)12-7-8(2)3/h5-6H,2,4,7H2,1,3H3,(H,12,13).
What are the key properties of 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide?
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide has a molecular weight of 209.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide is sourced from PubChem (CID 114618465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).