3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide

C12H17NOS — CID 115628193

IUPAC3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
SMILESC/C=C/CCNC(=O)c1sccc1CC
InChIInChI=1S/C12H17NOS/c1-3-5-6-8-13-12(14)11-10(4-2)7-9-15-11/h3,5,7,9H,4,6,8H2,1-2H3,(H,13,14)/b5-3+
InChIKeyFKKFFNSZWUJXPJ-HWKANZROSA-N
MW223.34 g/mol
LogP3.01
Rot. Bonds5

About 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide

3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide (PubChem CID 115628193) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
PubChem CID115628193
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
SMILESC/C=C/CCNC(=O)c1sccc1CC
InChIInChI=1S/C12H17NOS/c1-3-5-6-8-13-12(14)11-10(4-2)7-9-15-11/h3,5,7,9H,4,6,8H2,1-2H3,(H,13,14)/b5-3+
InChIKeyFKKFFNSZWUJXPJ-HWKANZROSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide (CID 115628193) is 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide is C/C=C/CCNC(=O)c1sccc1CC.
What is the InChIKey of 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide?
The InChIKey is FKKFFNSZWUJXPJ-HWKANZROSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-5-6-8-13-12(14)11-10(4-2)7-9-15-11/h3,5,7,9H,4,6,8H2,1-2H3,(H,13,14)/b5-3+.
What are the key properties of 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide?
3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide has a molecular weight of 223.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide is sourced from PubChem (CID 115628193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).