N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide

C16H16N2OS — CID 6893910

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
SMILESCC(/C=N/NC(=O)Cc1cccs1)=C\c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-13(10-14-6-3-2-4-7-14)12-17-18-16(19)11-15-8-5-9-20-15/h2-10,12H,11H2,1H3,(H,18,19)/b13-10+,17-12+
InChIKeyVBLPQSQNLKNCHD-MIBYRVNNSA-N
MW284.38 g/mol
LogP3.50
Rot. Bonds5

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide (PubChem CID 6893910) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
PubChem CID6893910
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
SMILESCC(/C=N/NC(=O)Cc1cccs1)=C\c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-13(10-14-6-3-2-4-7-14)12-17-18-16(19)11-15-8-5-9-20-15/h2-10,12H,11H2,1H3,(H,18,19)/b13-10+,17-12+
InChIKeyVBLPQSQNLKNCHD-MIBYRVNNSA-N
XLogP3.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide (CID 6893910) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide is CC(/C=N/NC(=O)Cc1cccs1)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The InChIKey is VBLPQSQNLKNCHD-MIBYRVNNSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-13(10-14-6-3-2-4-7-14)12-17-18-16(19)11-15-8-5-9-20-15/h2-10,12H,11H2,1H3,(H,18,19)/b13-10+,17-12+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide has a molecular weight of 284.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6893910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).