3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide

C14H14N2OS — CID 910531

IUPAC3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1cccc(C(=O)NN=Cc2sccc2C)c1
InChIInChI=1S/C14H14N2OS/c1-10-4-3-5-12(8-10)14(17)16-15-9-13-11(2)6-7-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyRVMPUEWHTZPQNR-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide

3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 910531) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID910531
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1cccc(C(=O)NN=Cc2sccc2C)c1
InChIInChI=1S/C14H14N2OS/c1-10-4-3-5-12(8-10)14(17)16-15-9-13-11(2)6-7-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyRVMPUEWHTZPQNR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide (CID 910531) is 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide is Cc1cccc(C(=O)NN=Cc2sccc2C)c1.
What is the InChIKey of 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is RVMPUEWHTZPQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-4-3-5-12(8-10)14(17)16-15-9-13-11(2)6-7-18-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
3-methyl-N-[(3-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 3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 910531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).