N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide

C26H20Cl2N2O2S — CID 126205540

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

N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 126205540) has the molecular formula C26H20Cl2N2O2S and a molecular weight of 495.43 g/mol. Its IUPAC name is N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

• Compound Name: N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
• PubChem CID: 126205540
• Molecular Formula: C26H20Cl2N2O2S
• Molecular Weight: 495.43 g/mol
• Exact Mass: 494.06
• IUPAC Name: N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
• SMILES: O=C(CSc1ccc(Cl)cc1)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12
• InChI: InChI=1S/C26H20Cl2N2O2S/c27-20-10-12-21(13-11-20)33-17-26(31)30-29-15-23-22-7-3-1-5-18(22)9-14-25(23)32-16-19-6-2-4-8-24(19)28/h1-15H,16-17H2,(H,30,31)/b29-15-
• InChIKey: BYQVMNLFXXQKHX-FDVSRXAVSA-N
• XLogP: 6.97
• 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	495.43
LogP ≤ 5	6.97
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 N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide?

The IUPAC name of N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide (CID 126205540) is N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide.

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

The canonical SMILES for N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12.

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

The InChIKey is BYQVMNLFXXQKHX-FDVSRXAVSA-N. The full InChI is InChI=1S/C26H20Cl2N2O2S/c27-20-10-12-21(13-11-20)33-17-26(31)30-29-15-23-22-7-3-1-5-18(22)9-14-25(23)32-16-19-6-2-4-8-24(19)28/h1-15H,16-17H2,(H,30,31)/b29-15-.

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

N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 495.43 g/mol, XLogP of 6.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 126205540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).