(E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide

C15H18N2OS — CID 817554

IUPAC(E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide
SMILESN#C/C(=C\c1cccs1)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H18N2OS/c16-11-12(10-14-8-5-9-19-14)15(18)17-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7H2,(H,17,18)/b12-10+
InChIKeySLPAEPAILXLCOG-ZRDIBKRKSA-N
MW274.39 g/mol
LogP3.49
Rot. Bonds3

About (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide

(E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 817554) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide
PubChem CID817554
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide
SMILESN#C/C(=C\c1cccs1)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H18N2OS/c16-11-12(10-14-8-5-9-19-14)15(18)17-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7H2,(H,17,18)/b12-10+
InChIKeySLPAEPAILXLCOG-ZRDIBKRKSA-N
XLogP3.49
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide (CID 817554) is (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide is N#C/C(=C\c1cccs1)C(=O)NC1CCCCCC1.
What is the InChIKey of (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is SLPAEPAILXLCOG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-11-12(10-14-8-5-9-19-14)15(18)17-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7H2,(H,17,18)/b12-10+.
What are the key properties of (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide?
(E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 274.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cycloheptyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 817554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).