N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide

C32H36N2O2S — CID 23285265

IUPACN-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
SMILESCN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H36N2O2S/c1-33(37(35,36)32-14-6-3-7-15-32)25-31(30-17-16-27-12-8-9-13-29(27)24-30)20-23-34-21-18-28(19-22-34)26-10-4-2-5-11-26/h2-17,24,28,31H,18-23,25H2,1H3
InChIKeyDZNWWHDJWHTPPT-UHFFFAOYSA-N
MW512.72 g/mol
LogP6.51
Rot. Bonds9

About N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide

N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide (PubChem CID 23285265) has the molecular formula C32H36N2O2S and a molecular weight of 512.72 g/mol. Its IUPAC name is N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
PubChem CID23285265
Molecular FormulaC32H36N2O2S
Molecular Weight512.72 g/mol
Exact Mass512.25
IUPAC NameN-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
SMILESCN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H36N2O2S/c1-33(37(35,36)32-14-6-3-7-15-32)25-31(30-17-16-27-12-8-9-13-29(27)24-30)20-23-34-21-18-28(19-22-34)26-10-4-2-5-11-26/h2-17,24,28,31H,18-23,25H2,1H3
InChIKeyDZNWWHDJWHTPPT-UHFFFAOYSA-N
XLogP6.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.72
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide (CID 23285265) is N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide is CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide?
The InChIKey is DZNWWHDJWHTPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2S/c1-33(37(35,36)32-14-6-3-7-15-32)25-31(30-17-16-27-12-8-9-13-29(27)24-30)20-23-34-21-18-28(19-22-34)26-10-4-2-5-11-26/h2-17,24,28,31H,18-23,25H2,1H3.
What are the key properties of N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide?
N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide has a molecular weight of 512.72 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-naphthalen-2-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 23285265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).