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

C18H17N3O4S — CID 7254447

IUPAC2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O4S/c1-12-8-9-13(2)15(10-12)17-20-21-18(25-17)19-16(22)11-26(23,24)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyOZFAZJBXJOWPPL-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.77
Rot. Bonds5

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

2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 7254447) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID7254447
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O4S/c1-12-8-9-13(2)15(10-12)17-20-21-18(25-17)19-16(22)11-26(23,24)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyOZFAZJBXJOWPPL-UHFFFAOYSA-N
XLogP2.77
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 7254447) is 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(C)c(-c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)o2)c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is OZFAZJBXJOWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12-8-9-13(2)15(10-12)17-20-21-18(25-17)19-16(22)11-26(23,24)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 7254447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).