2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

C24H23N3O3S — CID 92710987

IUPAC2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c(C)c1
InChIInChI=1S/C24H23N3O3S/c1-16-14-17(2)22(18(3)15-16)31(28,29)27-21(19-10-6-4-7-11-19)24-26-25-23(30-24)20-12-8-5-9-13-20/h4-15,21,27H,1-3H3/t21-/m0/s1
InChIKeyCEEPGSMUTSXVMI-NRFANRHFSA-N
MW433.53 g/mol
LogP4.73
Rot. Bonds6

About 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 92710987) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID92710987
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c(C)c1
InChIInChI=1S/C24H23N3O3S/c1-16-14-17(2)22(18(3)15-16)31(28,29)27-21(19-10-6-4-7-11-19)24-26-25-23(30-24)20-12-8-5-9-13-20/h4-15,21,27H,1-3H3/t21-/m0/s1
InChIKeyCEEPGSMUTSXVMI-NRFANRHFSA-N
XLogP4.73
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 20960148
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 28887757
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 166175665
4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710992
3-chloro-N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 92700767
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 55485001
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 92711179
N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 92711180
1-(2,5-dimethylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92711003
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylaniline
CID 92700673
2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322238

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 92710987) is 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is CEEPGSMUTSXVMI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-14-17(2)22(18(3)15-16)31(28,29)27-21(19-10-6-4-7-11-19)24-26-25-23(30-24)20-12-8-5-9-13-20/h4-15,21,27H,1-3H3/t21-/m0/s1.
What are the key properties of 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 92710987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).