3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C23H29N3O5S — CID 46267377

IUPAC3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(-c2noc(C(C)(C)C)n2)c1
InChIInChI=1S/C23H29N3O5S/c1-7-26(15-16-8-10-17(29-5)11-9-16)32(27,28)18-12-13-20(30-6)19(14-18)21-24-22(31-25-21)23(2,3)4/h8-14H,7,15H2,1-6H3
InChIKeyGQZFJGPXBUNSPQ-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.26
Rot. Bonds8

About 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 46267377) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID46267377
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(-c2noc(C(C)(C)C)n2)c1
InChIInChI=1S/C23H29N3O5S/c1-7-26(15-16-8-10-17(29-5)11-9-16)32(27,28)18-12-13-20(30-6)19(14-18)21-24-22(31-25-21)23(2,3)4/h8-14H,7,15H2,1-6H3
InChIKeyGQZFJGPXBUNSPQ-UHFFFAOYSA-N
XLogP4.26
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
CID 56561819
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17078786
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747540
4-tert-butyl-N-[(4-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 162671390
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
N,N-diethyl-4-methoxy-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 31984054
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 141361157

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 46267377) is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(-c2noc(C(C)(C)C)n2)c1.
What is the InChIKey of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is GQZFJGPXBUNSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-7-26(15-16-8-10-17(29-5)11-9-16)32(27,28)18-12-13-20(30-6)19(14-18)21-24-22(31-25-21)23(2,3)4/h8-14H,7,15H2,1-6H3.
What are the key properties of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 459.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46267377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).