5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide

C13H19NO2S — CID 144920925

IUPAC5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
SMILESCC(=O)CCCC(=O)NCCCc1cccs1
InChIInChI=1S/C13H19NO2S/c1-11(15)5-2-8-13(16)14-9-3-6-12-7-4-10-17-12/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,14,16)
InChIKeyOHGCNLYFNYKZER-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.56
Rot. Bonds8

About 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide

5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide (PubChem CID 144920925) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide.

Molecular Properties

Compound Name5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
PubChem CID144920925
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
SMILESCC(=O)CCCC(=O)NCCCc1cccs1
InChIInChI=1S/C13H19NO2S/c1-11(15)5-2-8-13(16)14-9-3-6-12-7-4-10-17-12/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,14,16)
InChIKeyOHGCNLYFNYKZER-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.56
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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Related Compounds

N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119549554
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
CID 112793501

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide?
The IUPAC name of 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide (CID 144920925) is 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide.
What is the SMILES notation for 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide?
The canonical SMILES for 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide is CC(=O)CCCC(=O)NCCCc1cccs1.
What is the InChIKey of 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide?
The InChIKey is OHGCNLYFNYKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11(15)5-2-8-13(16)14-9-3-6-12-7-4-10-17-12/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,14,16).
What are the key properties of 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide?
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide has a molecular weight of 253.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide is sourced from PubChem (CID 144920925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).