N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide

C18H18FN3O3S — CID 110323487

IUPACN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C18H18FN3O3S/c1-13-6-2-3-7-14(13)12-26(23,24)20-11-10-17-21-18(22-25-17)15-8-4-5-9-16(15)19/h2-9,20H,10-12H2,1H3
InChIKeyRGEPNEFTMLFQPO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.85
Rot. Bonds7

About N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110323487) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110323487
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C18H18FN3O3S/c1-13-6-2-3-7-14(13)12-26(23,24)20-11-10-17-21-18(22-25-17)15-8-4-5-9-16(15)19/h2-9,20H,10-12H2,1H3
InChIKeyRGEPNEFTMLFQPO-UHFFFAOYSA-N
XLogP2.85
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323465
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylphenyl)propanamide
CID 22431108
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 62716288
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323716
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 4973301
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110323688

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110323487) is N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCc1nc(-c2ccccc2F)no1.
What is the InChIKey of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is RGEPNEFTMLFQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-13-6-2-3-7-14(13)12-26(23,24)20-11-10-17-21-18(22-25-17)15-8-4-5-9-16(15)19/h2-9,20H,10-12H2,1H3.
What are the key properties of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110323487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).