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

C24H30Cl2N2O3S — CID 57471272

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

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-2-cyclopropylethanesulfonamide (PubChem CID 57471272) 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]-2-cyclopropylethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-2-cyclopropylethanesulfonamide
• PubChem CID: 57471272
• 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]-2-cyclopropylethanesulfonamide
• SMILES: NC1CCc2ccc(OCCNS(=O)(=O)CCC3CC3)cc2C1Cc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C24H30Cl2N2O3S/c25-22-7-3-17(14-23(22)26)13-21-20-15-19(6-4-18(20)5-8-24(21)27)31-11-10-28-32(29,30)12-9-16-1-2-16/h3-4,6-7,14-16,21,24,28H,1-2,5,8-13,27H2
• InChIKey: OSPHAHIBRVAQIH-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 81.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• 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]-2-cyclopropylethanesulfonamide?

The IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-2-cyclopropylethanesulfonamide (CID 57471272) is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-2-cyclopropylethanesulfonamide.

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

The canonical SMILES for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-2-cyclopropylethanesulfonamide is NC1CCc2ccc(OCCNS(=O)(=O)CCC3CC3)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]-2-cyclopropylethanesulfonamide?

The InChIKey is OSPHAHIBRVAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O3S/c25-22-7-3-17(14-23(22)26)13-21-20-15-19(6-4-18(20)5-8-24(21)27)31-11-10-28-32(29,30)12-9-16-1-2-16/h3-4,6-7,14-16,21,24,28H,1-2,5,8-13,27H2.

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

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-2-cyclopropylethanesulfonamide has a molecular weight of 497.49 g/mol, XLogP of 4.69, 10 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]-2-cyclopropylethanesulfonamide is sourced from PubChem (CID 57471272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).