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

C13H17N3O3S — CID 110323882

IUPACN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C13H17N3O3S/c1-3-20(17,18)14-9-8-12-15-13(16-19-12)11-6-4-10(2)5-7-11/h4-7,14H,3,8-9H2,1-2H3
InChIKeyJWJPQKDXFMDDTL-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.53
Rot. Bonds6

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

N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide (PubChem CID 110323882) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
PubChem CID110323882
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C13H17N3O3S/c1-3-20(17,18)14-9-8-12-15-13(16-19-12)11-6-4-10(2)5-7-11/h4-7,14H,3,8-9H2,1-2H3
InChIKeyJWJPQKDXFMDDTL-UHFFFAOYSA-N
XLogP1.53
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylsulfonylpropan-2-amine
CID 125438808
(2S)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylsulfonylpropan-2-amine
CID 125438809
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide
CID 110322872
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4897923
5-[2-(dimethylsulfamoylamino)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 110323562
4-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323565
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzenesulfonamide
CID 110324032
5-[(dimethylsulfamoylamino)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 110322873
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylethanesulfonamide
CID 110322890

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide (CID 110323882) is N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide?
The InChIKey is JWJPQKDXFMDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-20(17,18)14-9-8-12-15-13(16-19-12)11-6-4-10(2)5-7-11/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide?
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 110323882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).