N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide

C24H30Cl2N2O3S — CID 57471252

About N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide (PubChem CID 57471252) has the molecular formula C24H30Cl2N2O3S and a molecular weight of 497.49 g/mol. Its IUPAC name is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide
• PubChem CID: 57471252
• Molecular Formula: C24H30Cl2N2O3S
• Molecular Weight: 497.49 g/mol
• Exact Mass: 496.14
• IUPAC Name: N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide
• SMILES: NC1CCc2ccc(OCCNS(=O)(=O)CC3CCC3)cc2C1Cc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C24H30Cl2N2O3S/c25-22-8-4-17(13-23(22)26)12-21-20-14-19(7-5-18(20)6-9-24(21)27)31-11-10-28-32(29,30)15-16-2-1-3-16/h4-5,7-8,13-14,16,21,24,28H,1-3,6,9-12,15,27H2
• InChIKey: ZLCLKVXUJZGZFX-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 81.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.49
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide?

The IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide (CID 57471252) is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide.

What is the SMILES notation for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide?

The canonical SMILES for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide is NC1CCc2ccc(OCCNS(=O)(=O)CC3CCC3)cc2C1Cc1ccc(Cl)c(Cl)c1.

What is the InChIKey of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide?

The InChIKey is ZLCLKVXUJZGZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O3S/c25-22-8-4-17(13-23(22)26)12-21-20-14-19(7-5-18(20)6-9-24(21)27)31-11-10-28-32(29,30)15-16-2-1-3-16/h4-5,7-8,13-14,16,21,24,28H,1-3,6,9-12,15,27H2.

What are the key properties of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide?

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide has a molecular weight of 497.49 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclobutylmethanesulfonamide is sourced from PubChem (CID 57471252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).