2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

C14H19N3O3S — CID 110368567

IUPAC2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCc1nnc(C(C)C)o1
InChIInChI=1S/C14H19N3O3S/c1-10(2)14-17-16-13(20-14)8-9-15-21(18,19)12-7-5-4-6-11(12)3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyBACGAQJWIYUXQU-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.02
Rot. Bonds6

About 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110368567) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110368567
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCc1nnc(C(C)C)o1
InChIInChI=1S/C14H19N3O3S/c1-10(2)14-17-16-13(20-14)8-9-15-21(18,19)12-7-5-4-6-11(12)3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyBACGAQJWIYUXQU-UHFFFAOYSA-N
XLogP2.02
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368569
2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320490
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylbenzenesulfonamide
CID 110321999
5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110368533
3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110368560
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 110718865
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110368571
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318432
1-(4-chlorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110368545
3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110321268
3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368347
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110368567) is 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCc1nnc(C(C)C)o1.
What is the InChIKey of 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is BACGAQJWIYUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(2)14-17-16-13(20-14)8-9-15-21(18,19)12-7-5-4-6-11(12)3/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110368567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).