2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

C₂₈H₂₆Cl₂N₂O₃S — CID 43892752

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 43892752) has the molecular formula C₂₈H₂₆Cl₂N₂O₃S and a molecular weight of 541.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
• PubChem CID: 43892752
• Molecular Formula: C₂₈H₂₆Cl₂N₂O₃S
• Molecular Weight: 541.50 g/mol
• Exact Mass: 540.10
• IUPAC Name: 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
• SMILES: CC(CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Cc1cccc2ccccc12
• InChI: InChI=1S/C28H26Cl2N2O3S/c1-20(14-22-10-7-9-21-8-5-6-13-27(21)22)18-31-28(33)19-32(25-16-23(29)15-24(30)17-25)36(34,35)26-11-3-2-4-12-26/h2-13,15-17,20H,14,18-19H2,1H3,(H,31,33)
• InChIKey: ITSQUOADBUQXPN-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.50
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 43892752) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is CC(CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Cc1cccc2ccccc12.

What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?

The InChIKey is ITSQUOADBUQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N2O3S/c1-20(14-22-10-7-9-21-8-5-6-13-27(21)22)18-31-28(33)19-32(25-16-23(29)15-24(30)17-25)36(34,35)26-11-3-2-4-12-26/h2-13,15-17,20H,14,18-19H2,1H3,(H,31,33).

What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 541.50 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 43892752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43892752 — identifiers, structure, computed properties (public domain)

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