N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide

C25H32N4O3S — CID 142004116

IUPACN-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
SMILESCC(CCN1CCC(c2nc(Cc3ccc(NS(C)(=O)=O)cc3)no2)CC1)c1ccccc1
InChIInChI=1S/C25H32N4O3S/c1-19(21-6-4-3-5-7-21)12-15-29-16-13-22(14-17-29)25-26-24(27-32-25)18-20-8-10-23(11-9-20)28-33(2,30)31/h3-11,19,22,28H,12-18H2,1-2H3
InChIKeyBZUOSDZQLHJINP-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.41
Rot. Bonds9

About N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide

N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide (PubChem CID 142004116) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
PubChem CID142004116
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC NameN-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
SMILESCC(CCN1CCC(c2nc(Cc3ccc(NS(C)(=O)=O)cc3)no2)CC1)c1ccccc1
InChIInChI=1S/C25H32N4O3S/c1-19(21-6-4-3-5-7-21)12-15-29-16-13-22(14-17-29)25-26-24(27-32-25)18-20-8-10-23(11-9-20)28-33(2,30)31/h3-11,19,22,28H,12-18H2,1-2H3
InChIKeyBZUOSDZQLHJINP-UHFFFAOYSA-N
XLogP4.41
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide (CID 142004116) is N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide is CC(CCN1CCC(c2nc(Cc3ccc(NS(C)(=O)=O)cc3)no2)CC1)c1ccccc1.
What is the InChIKey of N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is BZUOSDZQLHJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-19(21-6-4-3-5-7-21)12-15-29-16-13-22(14-17-29)25-26-24(27-32-25)18-20-8-10-23(11-9-20)28-33(2,30)31/h3-11,19,22,28H,12-18H2,1-2H3.
What are the key properties of N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide?
N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 468.62 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[1-(3-phenylbutyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 142004116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).