2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

C27H23ClN2O2S — CID 126207158

About 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (PubChem CID 126207158) has the molecular formula C27H23ClN2O2S and a molecular weight of 475.01 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
• PubChem CID: 126207158
• Molecular Formula: C27H23ClN2O2S
• Molecular Weight: 475.01 g/mol
• Exact Mass: 474.12
• IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
• SMILES: Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C27H23ClN2O2S/c1-19-6-8-20(9-7-19)17-32-26-15-10-21-4-2-3-5-24(21)25(26)16-29-30-27(31)18-33-23-13-11-22(28)12-14-23/h2-16H,17-18H2,1H3,(H,30,31)/b29-16-
• InChIKey: KMUUMRJCTZJJRP-MWLSYYOVSA-N
• XLogP: 6.62
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.01
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (CID 126207158) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1.

What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The InChIKey is KMUUMRJCTZJJRP-MWLSYYOVSA-N. The full InChI is InChI=1S/C27H23ClN2O2S/c1-19-6-8-20(9-7-19)17-32-26-15-10-21-4-2-3-5-24(21)25(26)16-29-30-27(31)18-33-23-13-11-22(28)12-14-23/h2-16H,17-18H2,1H3,(H,30,31)/b29-16-.

What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide has a molecular weight of 475.01 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is sourced from PubChem (CID 126207158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).