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

C24H23N3O3S — CID 50839258

IUPACN-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1
InChIInChI=1S/C24H23N3O3S/c1-3-27(17-19-8-5-4-6-9-19)31(28,29)22-11-7-10-21(16-22)24-25-23(26-30-24)20-14-12-18(2)13-15-20/h4-16H,3,17H2,1-2H3
InChIKeySZHIWZBDCGVDOQ-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.92
Rot. Bonds7

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

N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 50839258) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID50839258
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1
InChIInChI=1S/C24H23N3O3S/c1-3-27(17-19-8-5-4-6-9-19)31(28,29)22-11-7-10-21(16-22)24-25-23(26-30-24)20-14-12-18(2)13-15-20/h4-16H,3,17H2,1-2H3
InChIKeySZHIWZBDCGVDOQ-UHFFFAOYSA-N
XLogP4.92
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzenesulfonamide
CID 8874507
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17078786
N,N-diethyl-3-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-5-sulfonamide
CID 53082397
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzenesulfonamide
CID 8874504
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N,N-diethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 13409705
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 50839105
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50838999
N,N-diethyl-3-[5-(2-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 8661948

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 50839258) is N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1.
What is the InChIKey of N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is SZHIWZBDCGVDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-27(17-19-8-5-4-6-9-19)31(28,29)22-11-7-10-21(16-22)24-25-23(26-30-24)20-14-12-18(2)13-15-20/h4-16H,3,17H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 50839258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).