1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide

C24H23F3N2O4S — CID 46696482

IUPAC1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H23F3N2O4S/c25-24(26,27)16-33-22-8-4-3-7-21(22)28-23(30)18-11-13-29(14-12-18)34(31,32)20-10-9-17-5-1-2-6-19(17)15-20/h1-10,15,18H,11-14,16H2,(H,28,30)
InChIKeyBXXTZWABKBGSPB-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.82
Rot. Bonds6

About 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide

1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 46696482) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
PubChem CID46696482
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H23F3N2O4S/c25-24(26,27)16-33-22-8-4-3-7-21(22)28-23(30)18-11-13-29(14-12-18)34(31,32)20-10-9-17-5-1-2-6-19(17)15-20/h1-10,15,18H,11-14,16H2,(H,28,30)
InChIKeyBXXTZWABKBGSPB-UHFFFAOYSA-N
XLogP4.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057
N-[4-(4-fluorophenoxy)butyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 42572161
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
1-naphthalen-2-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 2985293
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide (CID 46696482) is 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is BXXTZWABKBGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c25-24(26,27)16-33-22-8-4-3-7-21(22)28-23(30)18-11-13-29(14-12-18)34(31,32)20-10-9-17-5-1-2-6-19(17)15-20/h1-10,15,18H,11-14,16H2,(H,28,30).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46696482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).