N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

C20H23N3O3S — CID 46397258

IUPACN-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C20H23N3O3S/c1-5-20(3,4)23-27(24,25)17-9-7-6-8-16(17)19-21-18(22-26-19)15-12-10-14(2)11-13-15/h6-13,23H,5H2,1-4H3
InChIKeyKMSAICPCPLVDCI-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.18
Rot. Bonds6

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

N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 46397258) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID46397258
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C20H23N3O3S/c1-5-20(3,4)23-27(24,25)17-9-7-6-8-16(17)19-21-18(22-26-19)15-12-10-14(2)11-13-15/h6-13,23H,5H2,1-4H3
InChIKeyKMSAICPCPLVDCI-UHFFFAOYSA-N
XLogP4.18
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 46397233
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 50842176
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50841890
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 50841866
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50841991
N-(3,4-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50842970
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 46397258) is N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is KMSAICPCPLVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-5-20(3,4)23-27(24,25)17-9-7-6-8-16(17)19-21-18(22-26-19)15-12-10-14(2)11-13-15/h6-13,23H,5H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 46397258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).