2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C17H15N3O6S2 — CID 41028297

IUPAC2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C17H15N3O6S2/c1-27(22,23)13-9-7-12(8-10-13)16-19-20-17(26-16)18-15(21)11-28(24,25)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyOALUJPIQHHFWBL-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.55
Rot. Bonds6

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

2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 41028297) has the molecular formula C17H15N3O6S2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID41028297
Molecular FormulaC17H15N3O6S2
Molecular Weight421.46 g/mol
Exact Mass421.04
IUPAC Name2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C17H15N3O6S2/c1-27(22,23)13-9-7-12(8-10-13)16-19-20-17(26-16)18-15(21)11-28(24,25)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyOALUJPIQHHFWBL-UHFFFAOYSA-N
XLogP1.55
TPSA136.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977225
2-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254453
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
2-(benzenesulfonyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7544601
(E)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 7578317
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43975741
3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7655586
2-(1,3-benzodioxol-5-yl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977823
3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41028302
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 44921990
N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977757
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 41028297) is 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CS(=O)(=O)c1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is OALUJPIQHHFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S2/c1-27(22,23)13-9-7-12(8-10-13)16-19-20-17(26-16)18-15(21)11-28(24,25)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20,21).
What are the key properties of 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 421.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 41028297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).