N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide

C14H19NOS — CID 803892

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCC1=CCCCC1
InChIInChI=1S/C14H19NOS/c16-14(11-13-7-4-10-17-13)15-9-8-12-5-2-1-3-6-12/h4-5,7,10H,1-3,6,8-9,11H2,(H,15,16)
InChIKeyPMJJYCAAQSMFQR-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 803892) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID803892
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCC1=CCCCC1
InChIInChI=1S/C14H19NOS/c16-14(11-13-7-4-10-17-13)15-9-8-12-5-2-1-3-6-12/h4-5,7,10H,1-3,6,8-9,11H2,(H,15,16)
InChIKeyPMJJYCAAQSMFQR-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 803892) is N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is PMJJYCAAQSMFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-14(11-13-7-4-10-17-13)15-9-8-12-5-2-1-3-6-12/h4-5,7,10H,1-3,6,8-9,11H2,(H,15,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 249.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 803892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).