N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide

C14H18N4O5S — CID 131960772

IUPACN-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(C(=O)N2CCCCC2c2ncon2)o1
InChIInChI=1S/C14H18N4O5S/c1-24(20,21)16-8-10-5-6-12(23-10)14(19)18-7-3-2-4-11(18)13-15-9-22-17-13/h5-6,9,11,16H,2-4,7-8H2,1H3
InChIKeyNHMFIAOQJXQBPT-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.08
Rot. Bonds5

About N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide

N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide (PubChem CID 131960772) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
PubChem CID131960772
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC NameN-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(C(=O)N2CCCCC2c2ncon2)o1
InChIInChI=1S/C14H18N4O5S/c1-24(20,21)16-8-10-5-6-12(23-10)14(19)18-7-3-2-4-11(18)13-15-9-22-17-13/h5-6,9,11,16H,2-4,7-8H2,1H3
InChIKeyNHMFIAOQJXQBPT-UHFFFAOYSA-N
XLogP1.08
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
(5-methylfuro[3,2-b]pyridin-2-yl)-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 138996158
[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 167948922
N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
CID 120740627
N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 91650313
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689
N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide
CID 120569904
2-(1-methylcyclohexyl)-1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 127649525
[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-[5-(methylsulfonylmethyl)furan-2-yl]methanone
CID 96996576
[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828512
[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 97071448

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide (CID 131960772) is N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(C(=O)N2CCCCC2c2ncon2)o1.
What is the InChIKey of N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide?
The InChIKey is NHMFIAOQJXQBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-24(20,21)16-8-10-5-6-12(23-10)14(19)18-7-3-2-4-11(18)13-15-9-22-17-13/h5-6,9,11,16H,2-4,7-8H2,1H3.
What are the key properties of N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide?
N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide has a molecular weight of 354.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131960772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).