(E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

C20H18N2O2S — CID 2450656

IUPAC(E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1cccs1
InChIInChI=1S/C20H18N2O2S/c1-22(20(24)12-11-16-8-5-13-25-16)14-19(23)21-18-10-4-7-15-6-2-3-9-17(15)18/h2-13H,14H2,1H3,(H,21,23)/b12-11+
InChIKeyPISKREKIVIEALT-VAWYXSNFSA-N
MW350.44 g/mol
LogP4.01
Rot. Bonds5

About (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 2450656) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID2450656
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1cccs1
InChIInChI=1S/C20H18N2O2S/c1-22(20(24)12-11-16-8-5-13-25-16)14-19(23)21-18-10-4-7-15-6-2-3-9-17(15)18/h2-13H,14H2,1H3,(H,21,23)/b12-11+
InChIKeyPISKREKIVIEALT-VAWYXSNFSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-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-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (CID 2450656) is (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is CN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PISKREKIVIEALT-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-22(20(24)12-11-16-8-5-13-25-16)14-19(23)21-18-10-4-7-15-6-2-3-9-17(15)18/h2-13H,14H2,1H3,(H,21,23)/b12-11+.
What are the key properties of (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 350.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2450656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).