4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide

C16H16N2O2S — CID 5404625

IUPAC4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(SC)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-7-5-13(6-8-14)16(19)18-17-11-12-3-9-15(21-2)10-4-12/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyNREWZYLKJCNSNS-BOPFTXTBSA-N
MW300.38 g/mol
LogP3.18
Rot. Bonds5

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

4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide (PubChem CID 5404625) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
PubChem CID5404625
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(SC)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-7-5-13(6-8-14)16(19)18-17-11-12-3-9-15(21-2)10-4-12/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyNREWZYLKJCNSNS-BOPFTXTBSA-N
XLogP3.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 42991112
2-(4-methoxyanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5427968
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide (CID 5404625) is 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2ccc(SC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The InChIKey is NREWZYLKJCNSNS-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-14-7-5-13(6-8-14)16(19)18-17-11-12-3-9-15(21-2)10-4-12/h3-11H,1-2H3,(H,18,19)/b17-11-.
What are the key properties of 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide has a molecular weight of 300.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5404625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).