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

C17H13Cl2N3O5S — CID 18576965

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H13Cl2N3O5S/c1-28(24,25)14-5-3-2-4-11(14)16-21-22-17(27-16)20-15(23)9-26-13-7-6-10(18)8-12(13)19/h2-8H,9H2,1H3,(H,20,22,23)
InChIKeyPHZSORSGQCJOCX-UHFFFAOYSA-N
MW442.28 g/mol
LogP3.46
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 18576965) has the molecular formula C17H13Cl2N3O5S and a molecular weight of 442.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID18576965
Molecular FormulaC17H13Cl2N3O5S
Molecular Weight442.28 g/mol
Exact Mass441.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H13Cl2N3O5S/c1-28(24,25)14-5-3-2-4-11(14)16-21-22-17(27-16)20-15(23)9-26-13-7-6-10(18)8-12(13)19/h2-8H,9H2,1H3,(H,20,22,23)
InChIKeyPHZSORSGQCJOCX-UHFFFAOYSA-N
XLogP3.46
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 18576965) is 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is PHZSORSGQCJOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O5S/c1-28(24,25)14-5-3-2-4-11(14)16-21-22-17(27-16)20-15(23)9-26-13-7-6-10(18)8-12(13)19/h2-8H,9H2,1H3,(H,20,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 442.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 18576965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).