N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide

C12H10N2OS — CID 115172576

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
SMILESN#CC(=O)NCCc1csc2ccccc12
InChIInChI=1S/C12H10N2OS/c13-7-12(15)14-6-5-9-8-16-11-4-2-1-3-10(9)11/h1-4,8H,5-6H2,(H,14,15)
InChIKeyFUGVCUNCIRXGFO-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.08
Rot. Bonds3

About N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide

N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide (PubChem CID 115172576) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
PubChem CID115172576
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
SMILESN#CC(=O)NCCc1csc2ccccc12
InChIInChI=1S/C12H10N2OS/c13-7-12(15)14-6-5-9-8-16-11-4-2-1-3-10(9)11/h1-4,8H,5-6H2,(H,14,15)
InChIKeyFUGVCUNCIRXGFO-UHFFFAOYSA-N
XLogP2.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide
CID 112836983
1-[2-(1-benzothiophen-3-yl)ethyl]-3-(3-phenylprop-2-ynyl)urea
CID 87003268
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyano-N-methylformamide
CID 115172721
N-[2-(1-benzothiophen-3-yl)ethyl]adamantane-1-carboxamide
CID 112836999
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
2-[2-(1-benzothiophen-3-yl)ethylamino]-2-methylpropanenitrile
CID 115129637
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide (CID 115172576) is N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide is N#CC(=O)NCCc1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide?
The InChIKey is FUGVCUNCIRXGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c13-7-12(15)14-6-5-9-8-16-11-4-2-1-3-10(9)11/h1-4,8H,5-6H2,(H,14,15).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide has a molecular weight of 230.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide is sourced from PubChem (CID 115172576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).