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

C17H15N3O4S — CID 7295079

IUPACN-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
SMILESCS(=O)(=O)c1ccccc1-c1nnc(NC(=O)Cc2ccccc2)o1
InChIInChI=1S/C17H15N3O4S/c1-25(22,23)14-10-6-5-9-13(14)16-19-20-17(24-16)18-15(21)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyCWOXCSCZJVKCBH-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.32
Rot. Bonds5

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

N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide (PubChem CID 7295079) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
PubChem CID7295079
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
SMILESCS(=O)(=O)c1ccccc1-c1nnc(NC(=O)Cc2ccccc2)o1
InChIInChI=1S/C17H15N3O4S/c1-25(22,23)14-10-6-5-9-13(14)16-19-20-17(24-16)18-15(21)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyCWOXCSCZJVKCBH-UHFFFAOYSA-N
XLogP2.32
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide (CID 7295079) is N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide is CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)Cc2ccccc2)o1.
What is the InChIKey of N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The InChIKey is CWOXCSCZJVKCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-25(22,23)14-10-6-5-9-13(14)16-19-20-17(24-16)18-15(21)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20,21).
What are the key properties of N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide has a molecular weight of 357.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 7295079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).