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

C13H21NO2S — CID 2162137

IUPACN-(3-butoxypropyl)-2-thiophen-2-ylacetamide
SMILESCCCCOCCCNC(=O)Cc1cccs1
InChIInChI=1S/C13H21NO2S/c1-2-3-8-16-9-5-7-14-13(15)11-12-6-4-10-17-12/h4,6,10H,2-3,5,7-9,11H2,1H3,(H,14,15)
InChIKeyNURRAGRRCNPWIE-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.61
Rot. Bonds9

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

N-(3-butoxypropyl)-2-thiophen-2-ylacetamide (PubChem CID 2162137) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-thiophen-2-ylacetamide
PubChem CID2162137
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(3-butoxypropyl)-2-thiophen-2-ylacetamide
SMILESCCCCOCCCNC(=O)Cc1cccs1
InChIInChI=1S/C13H21NO2S/c1-2-3-8-16-9-5-7-14-13(15)11-12-6-4-10-17-12/h4,6,10H,2-3,5,7-9,11H2,1H3,(H,14,15)
InChIKeyNURRAGRRCNPWIE-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.61
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-butoxypropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-butoxypropyl)-2-thiophen-2-ylacetamide (CID 2162137) is N-(3-butoxypropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-butoxypropyl)-2-thiophen-2-ylacetamide is CCCCOCCCNC(=O)Cc1cccs1.
What is the InChIKey of N-(3-butoxypropyl)-2-thiophen-2-ylacetamide?
The InChIKey is NURRAGRRCNPWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-2-3-8-16-9-5-7-14-13(15)11-12-6-4-10-17-12/h4,6,10H,2-3,5,7-9,11H2,1H3,(H,14,15).
What are the key properties of N-(3-butoxypropyl)-2-thiophen-2-ylacetamide?
N-(3-butoxypropyl)-2-thiophen-2-ylacetamide has a molecular weight of 255.38 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2162137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).