N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide

C15H19N3O4S — CID 67396842

IUPACN-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide
SMILESCCCc1noc(C=Cc2ccc(OC)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H19N3O4S/c1-4-5-14-16-15(22-17-14)9-7-11-6-8-13(21-2)12(10-11)18-23(3,19)20/h6-10,18H,4-5H2,1-3H3
InChIKeyHSNORPSXOVGYHQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.57
Rot. Bonds7

About N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide

N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide (PubChem CID 67396842) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide
PubChem CID67396842
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide
SMILESCCCc1noc(C=Cc2ccc(OC)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H19N3O4S/c1-4-5-14-16-15(22-17-14)9-7-11-6-8-13(21-2)12(10-11)18-23(3,19)20/h6-10,18H,4-5H2,1-3H3
InChIKeyHSNORPSXOVGYHQ-UHFFFAOYSA-N
XLogP2.57
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide (CID 67396842) is N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide is CCCc1noc(C=Cc2ccc(OC)c(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide?
The InChIKey is HSNORPSXOVGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-5-14-16-15(22-17-14)9-7-11-6-8-13(21-2)12(10-11)18-23(3,19)20/h6-10,18H,4-5H2,1-3H3.
What are the key properties of N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide?
N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 67396842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).