(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide

C21H28N2OS — CID 15741719

IUPAC(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CCCCCNC(=O)/C=C/c1cccs1)Cc1ccccc1
InChIInChI=1S/C21H28N2OS/c1-2-23(18-19-10-5-3-6-11-19)16-8-4-7-15-22-21(24)14-13-20-12-9-17-25-20/h3,5-6,9-14,17H,2,4,7-8,15-16,18H2,1H3,(H,22,24)/b14-13+
InChIKeyJGBJKBGMMOONJS-BUHFOSPRSA-N
MW356.54 g/mol
LogP4.57
Rot. Bonds11

About (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 15741719) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID15741719
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC Name(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CCCCCNC(=O)/C=C/c1cccs1)Cc1ccccc1
InChIInChI=1S/C21H28N2OS/c1-2-23(18-19-10-5-3-6-11-19)16-8-4-7-15-22-21(24)14-13-20-12-9-17-25-20/h3,5-6,9-14,17H,2,4,7-8,15-16,18H2,1H3,(H,22,24)/b14-13+
InChIKeyJGBJKBGMMOONJS-BUHFOSPRSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[5-[benzyl(ethyl)amino]pentyl]-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)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide (CID 15741719) is (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide is CCN(CCCCCNC(=O)/C=C/c1cccs1)Cc1ccccc1.
What is the InChIKey of (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is JGBJKBGMMOONJS-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-2-23(18-19-10-5-3-6-11-19)16-8-4-7-15-22-21(24)14-13-20-12-9-17-25-20/h3,5-6,9-14,17H,2,4,7-8,15-16,18H2,1H3,(H,22,24)/b14-13+.
What are the key properties of (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 356.54 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 15741719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).