(E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide

C18H12N2OS — CID 55477748

IUPAC(E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C18H12N2OS/c19-12-15-4-2-1-3-13(15)5-8-18(21)20-16-6-7-17-14(11-16)9-10-22-17/h1-11H,(H,20,21)/b8-5+
InChIKeyQQZOJMVDAXQNQK-VMPITWQZSA-N
MW304.37 g/mol
LogP4.42
Rot. Bonds3

About (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide

(E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide (PubChem CID 55477748) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide
PubChem CID55477748
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name(E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C18H12N2OS/c19-12-15-4-2-1-3-13(15)5-8-18(21)20-16-6-7-17-14(11-16)9-10-22-17/h1-11H,(H,20,21)/b8-5+
InChIKeyQQZOJMVDAXQNQK-VMPITWQZSA-N
XLogP4.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-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

Related Compounds

(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide
CID 2423036
(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 55464461
4-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55892218
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 681397
N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
CID 3632850
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(E)-3-(2-cyanophenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]prop-2-enamide
CID 55962874
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 966078
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide (CID 55477748) is (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide is N#Cc1ccccc1/C=C/C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide?
The InChIKey is QQZOJMVDAXQNQK-VMPITWQZSA-N. The full InChI is InChI=1S/C18H12N2OS/c19-12-15-4-2-1-3-13(15)5-8-18(21)20-16-6-7-17-14(11-16)9-10-22-17/h1-11H,(H,20,21)/b8-5+.
What are the key properties of (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide?
(E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide has a molecular weight of 304.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 55477748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).