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

C15H13ClN2OS — CID 6862490

IUPACN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/C(Cl)=C/c1ccccc1
InChIInChI=1S/C15H13ClN2OS/c16-13(9-12-5-2-1-3-6-12)11-17-18-15(19)10-14-7-4-8-20-14/h1-9,11H,10H2,(H,18,19)/b13-9-,17-11+
InChIKeyWQMOWVGZKGIPPZ-BMWMMMPHSA-N
MW304.80 g/mol
LogP3.67
Rot. Bonds5

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

N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide (PubChem CID 6862490) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
PubChem CID6862490
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/C(Cl)=C/c1ccccc1
InChIInChI=1S/C15H13ClN2OS/c16-13(9-12-5-2-1-3-6-12)11-17-18-15(19)10-14-7-4-8-20-14/h1-9,11H,10H2,(H,18,19)/b13-9-,17-11+
InChIKeyWQMOWVGZKGIPPZ-BMWMMMPHSA-N
XLogP3.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.67
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)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide (CID 6862490) is N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C/C(Cl)=C/c1ccccc1.
What is the InChIKey of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
The InChIKey is WQMOWVGZKGIPPZ-BMWMMMPHSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-13(9-12-5-2-1-3-6-12)11-17-18-15(19)10-14-7-4-8-20-14/h1-9,11H,10H2,(H,18,19)/b13-9-,17-11+.
What are the key properties of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide?
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide has a molecular weight of 304.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6862490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).