N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide

C13H12N2OS — CID 5332764

IUPACN-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H12N2OS/c1-10(12-8-5-9-17-12)14-15-13(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,15,16)/b14-10-
InChIKeyFDMVTSJWRWLLPM-UVTDQMKNSA-N
MW244.32 g/mol
LogP2.90
Rot. Bonds3

About N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide

N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide (PubChem CID 5332764) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
PubChem CID5332764
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H12N2OS/c1-10(12-8-5-9-17-12)14-15-13(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,15,16)/b14-10-
InChIKeyFDMVTSJWRWLLPM-UVTDQMKNSA-N
XLogP2.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.90
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-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide (CID 5332764) is N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The InChIKey is FDMVTSJWRWLLPM-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-10(12-8-5-9-17-12)14-15-13(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,15,16)/b14-10-.
What are the key properties of N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide has a molecular weight of 244.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide is sourced from PubChem (CID 5332764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).