N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C25H24N4O5S — CID 1457034

IUPACN-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESO=C(c1ccco1)N1CCC[C@@H](c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1
InChIInChI=1S/C25H24N4O5S/c30-25(22-9-5-15-33-22)29-14-4-8-20(17-29)24-27-23(28-34-24)19-10-12-21(13-11-19)35(31,32)26-16-18-6-2-1-3-7-18/h1-3,5-7,9-13,15,20,26H,4,8,14,16-17H2/t20-/m1/s1
InChIKeyZPIQTKFMNQCPAX-HXUWFJFHSA-N
MW492.56 g/mol
LogP3.83
Rot. Bonds7

About N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 1457034) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID1457034
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESO=C(c1ccco1)N1CCC[C@@H](c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1
InChIInChI=1S/C25H24N4O5S/c30-25(22-9-5-15-33-22)29-14-4-8-20(17-29)24-27-23(28-34-24)19-10-12-21(13-11-19)35(31,32)26-16-18-6-2-1-3-7-18/h1-3,5-7,9-13,15,20,26H,4,8,14,16-17H2/t20-/m1/s1
InChIKeyZPIQTKFMNQCPAX-HXUWFJFHSA-N
XLogP3.83
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 56728046
[2-(benzylamino)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 68924464
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
[3,5-bis(trifluoromethyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4045470
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 5126087
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide
CID 92898459
[(3R)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 1457013
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4640264
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 1457034) is N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is O=C(c1ccco1)N1CCC[C@@H](c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1.
What is the InChIKey of N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is ZPIQTKFMNQCPAX-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H24N4O5S/c30-25(22-9-5-15-33-22)29-14-4-8-20(17-29)24-27-23(28-34-24)19-10-12-21(13-11-19)35(31,32)26-16-18-6-2-1-3-7-18/h1-3,5-7,9-13,15,20,26H,4,8,14,16-17H2/t20-/m1/s1.
What are the key properties of N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 492.56 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 1457034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).