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

C20H22N4O4S2 — CID 43973293

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-14-4-6-15(7-5-14)13-17-22-23-20(28-17)21-19(25)16-8-10-24(11-9-16)30(26,27)18-3-2-12-29-18/h2-7,12,16H,8-11,13H2,1H3,(H,21,23,25)
InChIKeyANTJYFIVMFGSPI-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.07
Rot. Bonds6

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

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43973293) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID43973293
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-14-4-6-15(7-5-14)13-17-22-23-20(28-17)21-19(25)16-8-10-24(11-9-16)30(26,27)18-3-2-12-29-18/h2-7,12,16H,8-11,13H2,1H3,(H,21,23,25)
InChIKeyANTJYFIVMFGSPI-UHFFFAOYSA-N
XLogP3.07
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 43973293) is N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ANTJYFIVMFGSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-14-4-6-15(7-5-14)13-17-22-23-20(28-17)21-19(25)16-8-10-24(11-9-16)30(26,27)18-3-2-12-29-18/h2-7,12,16H,8-11,13H2,1H3,(H,21,23,25).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43973293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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