N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide

C11H17NO2S — CID 3668870

IUPACN-(3-ethoxypropyl)-2-thiophen-2-ylacetamide
SMILESCCOCCCNC(=O)Cc1cccs1
InChIInChI=1S/C11H17NO2S/c1-2-14-7-4-6-12-11(13)9-10-5-3-8-15-10/h3,5,8H,2,4,6-7,9H2,1H3,(H,12,13)
InChIKeyLYESDRGMTIJRES-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.83
Rot. Bonds7

About N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide

N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide (PubChem CID 3668870) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-thiophen-2-ylacetamide
PubChem CID3668870
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(3-ethoxypropyl)-2-thiophen-2-ylacetamide
SMILESCCOCCCNC(=O)Cc1cccs1
InChIInChI=1S/C11H17NO2S/c1-2-14-7-4-6-12-11(13)9-10-5-3-8-15-10/h3,5,8H,2,4,6-7,9H2,1H3,(H,12,13)
InChIKeyLYESDRGMTIJRES-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.83
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 N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide (CID 3668870) is N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide is CCOCCCNC(=O)Cc1cccs1.
What is the InChIKey of N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide?
The InChIKey is LYESDRGMTIJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-14-7-4-6-12-11(13)9-10-5-3-8-15-10/h3,5,8H,2,4,6-7,9H2,1H3,(H,12,13).
What are the key properties of N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide?
N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide has a molecular weight of 227.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3668870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).