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

C22H25ClN4O2S2 — CID 43928668

IUPACN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCSCc1ccccc1Cl)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C22H25ClN4O2S2/c23-18-5-2-1-4-17(18)15-30-13-9-24-22(28)16-7-10-27(11-8-16)14-20-25-21(26-29-20)19-6-3-12-31-19/h1-6,12,16H,7-11,13-15H2,(H,24,28)
InChIKeyKPIWVIFOYANXNJ-UHFFFAOYSA-N
MW477.06 g/mol
LogP4.71
Rot. Bonds9

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

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 43928668) has the molecular formula C22H25ClN4O2S2 and a molecular weight of 477.06 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID43928668
Molecular FormulaC22H25ClN4O2S2
Molecular Weight477.06 g/mol
Exact Mass476.11
IUPAC NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCSCc1ccccc1Cl)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C22H25ClN4O2S2/c23-18-5-2-1-4-17(18)15-30-13-9-24-22(28)16-7-10-27(11-8-16)14-20-25-21(26-29-20)19-6-3-12-31-19/h1-6,12,16H,7-11,13-15H2,(H,24,28)
InChIKeyKPIWVIFOYANXNJ-UHFFFAOYSA-N
XLogP4.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.06
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935240
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-[(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-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928606
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141968
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151871
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928851
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-phenylsulfanylethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934961
N-(3-benzylsulfanylpropyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38154600

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 43928668) is N-[2-[(2-chlorophenyl)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-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KPIWVIFOYANXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2S2/c23-18-5-2-1-4-17(18)15-30-13-9-24-22(28)16-7-10-27(11-8-16)14-20-25-21(26-29-20)19-6-3-12-31-19/h1-6,12,16H,7-11,13-15H2,(H,24,28).
What are the key properties of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 477.06 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).