N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide

C24H23ClN2O2S2 — CID 6151114

About N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide

N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide (PubChem CID 6151114) has the molecular formula C24H23ClN2O2S2 and a molecular weight of 471.05 g/mol. Its IUPAC name is N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
• PubChem CID: 6151114
• Molecular Formula: C24H23ClN2O2S2
• Molecular Weight: 471.05 g/mol
• Exact Mass: 470.09
• IUPAC Name: N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
• SMILES: CC1(CC(=O)N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SCCS1
• InChI: InChI=1S/C24H23ClN2O2S2/c1-24(30-12-13-31-24)14-23(28)27-26-15-21-20-5-3-2-4-18(20)8-11-22(21)29-16-17-6-9-19(25)10-7-17/h2-11,15H,12-14,16H2,1H3,(H,27,28)/b26-15-
• InChIKey: FAOIARMYKCKHBV-YSMPRRRNSA-N
• XLogP: 6.11
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.05
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?

The IUPAC name of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide (CID 6151114) is N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide.

What is the SMILES notation for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?

The canonical SMILES for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide is CC1(CC(=O)N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SCCS1.

What is the InChIKey of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?

The InChIKey is FAOIARMYKCKHBV-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H23ClN2O2S2/c1-24(30-12-13-31-24)14-23(28)27-26-15-21-20-5-3-2-4-18(20)8-11-22(21)29-16-17-6-9-19(25)10-7-17/h2-11,15H,12-14,16H2,1H3,(H,27,28)/b26-15-.

What are the key properties of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?

N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide has a molecular weight of 471.05 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide is sourced from PubChem (CID 6151114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).