2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide

C14H14N2OS — CID 5418279

IUPAC2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2C)s1
InChIInChI=1S/C14H14N2OS/c1-10-5-3-4-6-13(10)14(17)16-15-9-12-8-7-11(2)18-12/h3-9H,1-2H3,(H,16,17)/b15-9-
InChIKeyNECMTELSSCJSSF-DHDCSXOGSA-N
MW258.35 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide

2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 5418279) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID5418279
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2C)s1
InChIInChI=1S/C14H14N2OS/c1-10-5-3-4-6-13(10)14(17)16-15-9-12-8-7-11(2)18-12/h3-9H,1-2H3,(H,16,17)/b15-9-
InChIKeyNECMTELSSCJSSF-DHDCSXOGSA-N
XLogP3.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.13
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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Related Compounds

2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797
1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea
CID 4212852
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371
2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 5418279) is 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccccc2C)s1.
What is the InChIKey of 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is NECMTELSSCJSSF-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-5-3-4-6-13(10)14(17)16-15-9-12-8-7-11(2)18-12/h3-9H,1-2H3,(H,16,17)/b15-9-.
What are the key properties of 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 258.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5418279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).