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

C13H17N3O3S — CID 95621942

IUPACN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1noc([C@H](C)NS(=O)(=O)Cc2ccccc2C)n1
InChIInChI=1S/C13H17N3O3S/c1-9-6-4-5-7-12(9)8-20(17,18)16-10(2)13-14-11(3)15-19-13/h4-7,10,16H,8H2,1-3H3/t10-/m0/s1
InChIKeyQNWXUHICGFTALX-JTQLQIEISA-N
MW295.36 g/mol
LogP1.87
Rot. Bonds5

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

N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 95621942) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID95621942
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1noc([C@H](C)NS(=O)(=O)Cc2ccccc2C)n1
InChIInChI=1S/C13H17N3O3S/c1-9-6-4-5-7-12(9)8-20(17,18)16-10(2)13-14-11(3)15-19-13/h4-7,10,16H,8H2,1-3H3/t10-/m0/s1
InChIKeyQNWXUHICGFTALX-JTQLQIEISA-N
XLogP1.87
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186133
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
N-benzyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130841233
5-(1-benzylsulfonylethyl)-3-methyl-1,2,4-oxadiazole
CID 47206683
N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 97212046
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731013
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 133186546
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110323487
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166203944
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
2-(2-ethylphenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820638
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
CID 125441866

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 95621942) is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1noc([C@H](C)NS(=O)(=O)Cc2ccccc2C)n1.
What is the InChIKey of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is QNWXUHICGFTALX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-6-4-5-7-12(9)8-20(17,18)16-10(2)13-14-11(3)15-19-13/h4-7,10,16H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 95621942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).