4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide

C24H29N3O7S — CID 41273101

IUPAC4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
SMILESCCOc1cc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C24H29N3O7S/c1-4-31-19-15-17(16-20(32-5-2)22(19)33-6-3)23-26-27-24(34-23)25-21(28)13-10-14-35(29,30)18-11-8-7-9-12-18/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3,(H,25,27,28)
InChIKeyJUSQNWYFAFIRNW-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.13
Rot. Bonds13

About 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide

4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide (PubChem CID 41273101) has the molecular formula C24H29N3O7S and a molecular weight of 503.58 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
PubChem CID41273101
Molecular FormulaC24H29N3O7S
Molecular Weight503.58 g/mol
Exact Mass503.17
IUPAC Name4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
SMILESCCOc1cc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C24H29N3O7S/c1-4-31-19-15-17(16-20(32-5-2)22(19)33-6-3)23-26-27-24(34-23)25-21(28)13-10-14-35(29,30)18-11-8-7-9-12-18/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3,(H,25,27,28)
InChIKeyJUSQNWYFAFIRNW-UHFFFAOYSA-N
XLogP4.13
TPSA129.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide 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

4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
2-(4-fluorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41151789
2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41151452
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 43975965
3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43975968
4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821677
3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7655586
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 43976534
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 43971944

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide (CID 41273101) is 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide is CCOc1cc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc(OCC)c1OCC.
What is the InChIKey of 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The InChIKey is JUSQNWYFAFIRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O7S/c1-4-31-19-15-17(16-20(32-5-2)22(19)33-6-3)23-26-27-24(34-23)25-21(28)13-10-14-35(29,30)18-11-8-7-9-12-18/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3,(H,25,27,28).
What are the key properties of 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide has a molecular weight of 503.58 g/mol, XLogP of 4.13, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide is sourced from PubChem (CID 41273101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).