N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C13H19NO2S — CID 42435327

IUPACN-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOCCNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C13H19NO2S/c1-16-9-8-14-12(15)13(6-2-3-7-13)11-5-4-10-17-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyRYXJHXFKXUPECP-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds5

About N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435327) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435327
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOCCNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C13H19NO2S/c1-16-9-8-14-12(15)13(6-2-3-7-13)11-5-4-10-17-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyRYXJHXFKXUPECP-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
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-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435327) is N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is COCCNC(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is RYXJHXFKXUPECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-16-9-8-14-12(15)13(6-2-3-7-13)11-5-4-10-17-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).