N-hexyl-2-thiophen-2-ylacetamide

C12H19NOS — CID 3511449

IUPACN-hexyl-2-thiophen-2-ylacetamide
SMILESCCCCCCNC(=O)Cc1cccs1
InChIInChI=1S/C12H19NOS/c1-2-3-4-5-8-13-12(14)10-11-7-6-9-15-11/h6-7,9H,2-5,8,10H2,1H3,(H,13,14)
InChIKeyINAPEAREYPRSNR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.99
Rot. Bonds7

About N-hexyl-2-thiophen-2-ylacetamide

N-hexyl-2-thiophen-2-ylacetamide (PubChem CID 3511449) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-hexyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-hexyl-2-thiophen-2-ylacetamide
PubChem CID3511449
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-hexyl-2-thiophen-2-ylacetamide
SMILESCCCCCCNC(=O)Cc1cccs1
InChIInChI=1S/C12H19NOS/c1-2-3-4-5-8-13-12(14)10-11-7-6-9-15-11/h6-7,9H,2-5,8,10H2,1H3,(H,13,14)
InChIKeyINAPEAREYPRSNR-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hexyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-hexyl-2-thiophen-2-ylacetamide (CID 3511449) is N-hexyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-hexyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-hexyl-2-thiophen-2-ylacetamide is CCCCCCNC(=O)Cc1cccs1.
What is the InChIKey of N-hexyl-2-thiophen-2-ylacetamide?
The InChIKey is INAPEAREYPRSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-3-4-5-8-13-12(14)10-11-7-6-9-15-11/h6-7,9H,2-5,8,10H2,1H3,(H,13,14).
What are the key properties of N-hexyl-2-thiophen-2-ylacetamide?
N-hexyl-2-thiophen-2-ylacetamide has a molecular weight of 225.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3511449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).