3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide

C12H19NO2S — CID 71985779

IUPAC3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide
SMILESCCOCCC(=O)NCC(C)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-3-15-6-4-12(14)13-8-10(2)11-5-7-16-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyXYIPQIYZXCPPAO-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.39
Rot. Bonds7

About 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide

3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide (PubChem CID 71985779) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide
PubChem CID71985779
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide
SMILESCCOCCC(=O)NCC(C)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-3-15-6-4-12(14)13-8-10(2)11-5-7-16-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyXYIPQIYZXCPPAO-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide?
The IUPAC name of 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide (CID 71985779) is 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide?
The canonical SMILES for 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide is CCOCCC(=O)NCC(C)c1ccsc1.
What is the InChIKey of 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide?
The InChIKey is XYIPQIYZXCPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-15-6-4-12(14)13-8-10(2)11-5-7-16-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide?
3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide has a molecular weight of 241.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide is sourced from PubChem (CID 71985779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).