2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide

C15H16N2OS — CID 5096046

IUPAC2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1C)c1ccc(C)s1
InChIInChI=1S/C15H16N2OS/c1-10-6-4-5-7-13(10)15(18)17-16-12(3)14-9-8-11(2)19-14/h4-9H,1-3H3,(H,17,18)
InChIKeyKAZNNJOMQWFCLN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.52
Rot. Bonds3

About 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide

2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide (PubChem CID 5096046) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
PubChem CID5096046
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1C)c1ccc(C)s1
InChIInChI=1S/C15H16N2OS/c1-10-6-4-5-7-13(10)15(18)17-16-12(3)14-9-8-11(2)19-14/h4-9H,1-3H3,(H,17,18)
InChIKeyKAZNNJOMQWFCLN-UHFFFAOYSA-N
XLogP3.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.52
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-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 5409813
N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
CID 5092659
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424
ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 142970474
2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 5412205
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
CID 8862909
3-ethyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxophthalazine-1-carboxamide
CID 9150107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide (CID 5096046) is 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1C)c1ccc(C)s1.
What is the InChIKey of 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The InChIKey is KAZNNJOMQWFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-6-4-5-7-13(10)15(18)17-16-12(3)14-9-8-11(2)19-14/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide has a molecular weight of 272.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 5096046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).