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

C15H21N3O3S — CID 110294366

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C15H21N3O3S/c1-11-5-7-12(8-6-11)22(19,20)16-10-9-13-17-14(21-18-13)15(2,3)4/h5-8,16H,9-10H2,1-4H3
InChIKeyMMUUSJDQSXSMTM-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.20
Rot. Bonds5

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

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 110294366) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID110294366
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C15H21N3O3S/c1-11-5-7-12(8-6-11)22(19,20)16-10-9-13-17-14(21-18-13)15(2,3)4/h5-8,16H,9-10H2,1-4H3
InChIKeyMMUUSJDQSXSMTM-UHFFFAOYSA-N
XLogP2.20
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.20
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]-3,4-dichlorobenzenesulfonamide
CID 110294380
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110294381
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]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213
N-[2-(benzenesulfonyl)ethyl]-2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 167783653
4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 5106222
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120855248
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide (CID 110294366) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2noc(C(C)(C)C)n2)cc1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is MMUUSJDQSXSMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-5-7-12(8-6-11)22(19,20)16-10-9-13-17-14(21-18-13)15(2,3)4/h5-8,16H,9-10H2,1-4H3.
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.20, 5 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110294366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).