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

C25H25N3O3S — CID 2799976

IUPACN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C25H25N3O3S/c1-17-9-15-20(16-10-17)32(29,30)28-22-8-6-5-7-21(22)24-27-26-23(31-24)18-11-13-19(14-12-18)25(2,3)4/h5-16,28H,1-4H3
InChIKeyQVNNBYVSGYKYCT-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.81
Rot. Bonds5

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

N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 2799976) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
PubChem CID2799976
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C25H25N3O3S/c1-17-9-15-20(16-10-17)32(29,30)28-22-8-6-5-7-21(22)24-27-26-23(31-24)18-11-13-19(14-12-18)25(2,3)4/h5-16,28H,1-4H3
InChIKeyQVNNBYVSGYKYCT-UHFFFAOYSA-N
XLogP5.81
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2799937
N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 1037259
4-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526888
2-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2306153
N-[3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 2742975
N-[2-[5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
CID 2742984
N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
CID 46933653
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 2799942
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 2799949
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chloro-2,5-dimethylbenzenesulfonamide
CID 2799981
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 16273914
4-methyl-N-[4-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 16104542

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide (CID 2799976) is N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1.
What is the InChIKey of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is QVNNBYVSGYKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-17-9-15-20(16-10-17)32(29,30)28-22-8-6-5-7-21(22)24-27-26-23(31-24)18-11-13-19(14-12-18)25(2,3)4/h5-16,28H,1-4H3.
What are the key properties of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide?
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2799976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).