N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C25H22ClFN2O2S — CID 47080184

IUPACN-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Sc2ccccc2Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H22ClFN2O2S/c26-22-3-1-2-4-23(22)32-21-11-9-20(10-12-21)28-24(30)17-13-15-29(16-14-17)25(31)18-5-7-19(27)8-6-18/h1-12,17H,13-16H2,(H,28,30)
InChIKeyNLHZRCIBGASXSG-UHFFFAOYSA-N
MW468.98 g/mol
LogP6.12
Rot. Bonds5

About N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 47080184) has the molecular formula C25H22ClFN2O2S and a molecular weight of 468.98 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID47080184
Molecular FormulaC25H22ClFN2O2S
Molecular Weight468.98 g/mol
Exact Mass468.11
IUPAC NameN-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Sc2ccccc2Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H22ClFN2O2S/c26-22-3-1-2-4-23(22)32-21-11-9-20(10-12-21)28-24(30)17-13-15-29(16-14-17)25(31)18-5-7-19(27)8-6-18/h1-12,17H,13-16H2,(H,28,30)
InChIKeyNLHZRCIBGASXSG-UHFFFAOYSA-N
XLogP6.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.98
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 47080184) is N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccc(Sc2ccccc2Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is NLHZRCIBGASXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN2O2S/c26-22-3-1-2-4-23(22)32-21-11-9-20(10-12-21)28-24(30)17-13-15-29(16-14-17)25(31)18-5-7-19(27)8-6-18/h1-12,17H,13-16H2,(H,28,30).
What are the key properties of N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 468.98 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 47080184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).