N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C22H24ClFN4O2S2 — CID 43928726

IUPACN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCSCc1c(F)cccc1Cl)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C22H24ClFN4O2S2/c23-17-3-1-4-18(24)16(17)14-31-12-8-25-22(29)15-6-9-28(10-7-15)13-20-26-21(27-30-20)19-5-2-11-32-19/h1-5,11,15H,6-10,12-14H2,(H,25,29)
InChIKeyULXMHXXPJCVCTR-UHFFFAOYSA-N
MW495.05 g/mol
LogP4.85
Rot. Bonds9

About N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 43928726) has the molecular formula C22H24ClFN4O2S2 and a molecular weight of 495.05 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID43928726
Molecular FormulaC22H24ClFN4O2S2
Molecular Weight495.05 g/mol
Exact Mass494.10
IUPAC NameN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCSCc1c(F)cccc1Cl)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C22H24ClFN4O2S2/c23-17-3-1-4-18(24)16(17)14-31-12-8-25-22(29)15-6-9-28(10-7-15)13-20-26-21(27-30-20)19-5-2-11-32-19/h1-5,11,15H,6-10,12-14H2,(H,25,29)
InChIKeyULXMHXXPJCVCTR-UHFFFAOYSA-N
XLogP4.85
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.05
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]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-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928668
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 43927025
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151871
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928311
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935015
N-[3-(4-chlorophenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928846
N-[3-[(4-methylphenyl)methylsulfanyl]propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928939
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929572
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43932061
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935240
1-[(4-bromophenyl)methyl]-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 43923058
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]cyclopropanecarboxamide
CID 100610014

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 43928726) is N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is O=C(NCCSCc1c(F)cccc1Cl)C1CCN(Cc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ULXMHXXPJCVCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2S2/c23-17-3-1-4-18(24)16(17)14-31-12-8-25-22(29)15-6-9-28(10-7-15)13-20-26-21(27-30-20)19-5-2-11-32-19/h1-5,11,15H,6-10,12-14H2,(H,25,29).
What are the key properties of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 495.05 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).