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

C16H23N3O3S — CID 110294399

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1noc(C(C)(C)C)n1
InChIInChI=1S/C16H23N3O3S/c1-12-7-5-6-8-13(12)11-23(20,21)17-10-9-14-18-15(22-19-14)16(2,3)4/h5-8,17H,9-11H2,1-4H3
InChIKeyYQWXBQYEJAYZPK-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.34
Rot. Bonds6

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

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110294399) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110294399
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1noc(C(C)(C)C)n1
InChIInChI=1S/C16H23N3O3S/c1-12-7-5-6-8-13(12)11-23(20,21)17-10-9-14-18-15(22-19-14)16(2,3)4/h5-8,17H,9-11H2,1-4H3
InChIKeyYQWXBQYEJAYZPK-UHFFFAOYSA-N
XLogP2.34
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
N-[2-(benzenesulfonyl)ethyl]-2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 167783653
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110323487
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110294381
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731013
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-5-sulfonamide
CID 166291352
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide
CID 110294380
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110716508
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110641168
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110791137

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110294399) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCc1noc(C(C)(C)C)n1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is YQWXBQYEJAYZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-7-5-6-8-13(12)11-23(20,21)17-10-9-14-18-15(22-19-14)16(2,3)4/h5-8,17H,9-11H2,1-4H3.
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110294399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).