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

C16H16N2OS — CID 5417741

IUPAC3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(/C=N\NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H16N2OS/c1-12-4-3-5-14(10-12)16(19)18-17-11-13-6-8-15(20-2)9-7-13/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyUMZORXCCZZIZDS-BOPFTXTBSA-N
MW284.38 g/mol
LogP3.48
Rot. Bonds4

About 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide

3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide (PubChem CID 5417741) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
PubChem CID5417741
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(/C=N\NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H16N2OS/c1-12-4-3-5-14(10-12)16(19)18-17-11-13-6-8-15(20-2)9-7-13/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyUMZORXCCZZIZDS-BOPFTXTBSA-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-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-nitrobenzamide
CID 6865590
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide
CID 71816319
N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503
N-(furan-3-ylmethylideneamino)-3-methylbenzamide
CID 4923070

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide (CID 5417741) is 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide is CSc1ccc(/C=N\NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The InChIKey is UMZORXCCZZIZDS-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-4-3-5-14(10-12)16(19)18-17-11-13-6-8-15(20-2)9-7-13/h3-11H,1-2H3,(H,18,19)/b17-11-.
What are the key properties of 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
3-methyl-N-[(Z)-(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 3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5417741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).