4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide

C16H16N2OS — CID 913551

IUPAC4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2OS/c1-12-3-7-14(8-4-12)16(19)18-17-11-13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyDMGABCWXEPWKIA-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.48
Rot. Bonds4

About 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide

4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide (PubChem CID 913551) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
PubChem CID913551
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2OS/c1-12-3-7-14(8-4-12)16(19)18-17-11-13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyDMGABCWXEPWKIA-UHFFFAOYSA-N
XLogP3.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.48
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

N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5432749
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 6030530
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide (CID 913551) is 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide is CSc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide?
The InChIKey is DMGABCWXEPWKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-3-7-14(8-4-12)16(19)18-17-11-13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide?
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide has a molecular weight of 284.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 913551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).