N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C20H22N4O4S2 — CID 43976795

IUPACN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)c1
InChIInChI=1S/C20H22N4O4S2/c1-13-10-14(2)12-16(11-13)19-22-23-20(28-19)21-18(25)15-5-7-24(8-6-15)30(26,27)17-4-3-9-29-17/h3-4,9-12,15H,5-8H2,1-2H3,(H,21,23,25)
InChIKeyAJHGVTFXKIIRRS-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.45
Rot. Bonds5

About N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43976795) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID43976795
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)c1
InChIInChI=1S/C20H22N4O4S2/c1-13-10-14(2)12-16(11-13)19-22-23-20(28-19)21-18(25)15-5-7-24(8-6-15)30(26,27)17-4-3-9-29-17/h3-4,9-12,15H,5-8H2,1-2H3,(H,21,23,25)
InChIKeyAJHGVTFXKIIRRS-UHFFFAOYSA-N
XLogP3.45
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16828812
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16803635
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-(6-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3242369
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43976851
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 41100117
1-ethylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8891344
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977669
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 43976795) is N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1cc(C)cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)c1.
What is the InChIKey of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AJHGVTFXKIIRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-13-10-14(2)12-16(11-13)19-22-23-20(28-19)21-18(25)15-5-7-24(8-6-15)30(26,27)17-4-3-9-29-17/h3-4,9-12,15H,5-8H2,1-2H3,(H,21,23,25).
What are the key properties of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43976795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).