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

C14H14N2OS — CID 5418148

IUPAC4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(C)s2)cc1
InChIInChI=1S/C14H14N2OS/c1-10-3-6-12(7-4-10)14(17)16-15-9-13-8-5-11(2)18-13/h3-9H,1-2H3,(H,16,17)/b15-9+
InChIKeyJKINBLMSGFLHLL-OQLLNIDSSA-N
MW258.35 g/mol
LogP3.13
Rot. Bonds3

About 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide

4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 5418148) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID5418148
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(C)s2)cc1
InChIInChI=1S/C14H14N2OS/c1-10-3-6-12(7-4-10)14(17)16-15-9-13-8-5-11(2)18-13/h3-9H,1-2H3,(H,16,17)/b15-9+
InChIKeyJKINBLMSGFLHLL-OQLLNIDSSA-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

4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579
N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
CID 4188286
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 126058288
4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 5393549
N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 9156025
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932924
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 5418148) is 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C/c2ccc(C)s2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is JKINBLMSGFLHLL-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-3-6-12(7-4-10)14(17)16-15-9-13-8-5-11(2)18-13/h3-9H,1-2H3,(H,16,17)/b15-9+.
What are the key properties of 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
4-methyl-N-[(E)-(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 4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5418148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).