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

C19H28N4O4S — CID 175223353

IUPACN-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide
SMILESCC(C)c1noc(N2CCC(C(C)Oc3cccc(NS(C)(=O)=O)c3)CC2)n1
InChIInChI=1S/C19H28N4O4S/c1-13(2)18-20-19(27-21-18)23-10-8-15(9-11-23)14(3)26-17-7-5-6-16(12-17)22-28(4,24)25/h5-7,12-15,22H,8-11H2,1-4H3
InChIKeyOPERPMNKQLVFSJ-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.25
Rot. Bonds7

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

N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide (PubChem CID 175223353) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide
PubChem CID175223353
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide
SMILESCC(C)c1noc(N2CCC(C(C)Oc3cccc(NS(C)(=O)=O)c3)CC2)n1
InChIInChI=1S/C19H28N4O4S/c1-13(2)18-20-19(27-21-18)23-10-8-15(9-11-23)14(3)26-17-7-5-6-16(12-17)22-28(4,24)25/h5-7,12-15,22H,8-11H2,1-4H3
InChIKeyOPERPMNKQLVFSJ-UHFFFAOYSA-N
XLogP3.25
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide (CID 175223353) is N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide is CC(C)c1noc(N2CCC(C(C)Oc3cccc(NS(C)(=O)=O)c3)CC2)n1.
What is the InChIKey of N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide?
The InChIKey is OPERPMNKQLVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-13(2)18-20-19(27-21-18)23-10-8-15(9-11-23)14(3)26-17-7-5-6-16(12-17)22-28(4,24)25/h5-7,12-15,22H,8-11H2,1-4H3.
What are the key properties of N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide?
N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 175223353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).