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

C13H13Cl2N3O5S — CID 9188783

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCS(=O)(=O)c1nnc(CCNC(=O)COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C13H13Cl2N3O5S/c1-24(20,21)13-18-17-12(23-13)4-5-16-11(19)7-22-10-3-2-8(14)6-9(10)15/h2-3,6H,4-5,7H2,1H3,(H,16,19)
InChIKeyZLHVSJPMNREYFC-UHFFFAOYSA-N
MW394.24 g/mol
LogP1.52
Rot. Bonds7

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

2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 9188783) has the molecular formula C13H13Cl2N3O5S and a molecular weight of 394.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID9188783
Molecular FormulaC13H13Cl2N3O5S
Molecular Weight394.24 g/mol
Exact Mass393.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCS(=O)(=O)c1nnc(CCNC(=O)COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C13H13Cl2N3O5S/c1-24(20,21)13-18-17-12(23-13)4-5-16-11(19)7-22-10-3-2-8(14)6-9(10)15/h2-3,6H,4-5,7H2,1H3,(H,16,19)
InChIKeyZLHVSJPMNREYFC-UHFFFAOYSA-N
XLogP1.52
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9186538
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113068036
2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717511
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 9188433
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318447
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 54773872

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 9188783) is 2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is CS(=O)(=O)c1nnc(CCNC(=O)COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is ZLHVSJPMNREYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O5S/c1-24(20,21)13-18-17-12(23-13)4-5-16-11(19)7-22-10-3-2-8(14)6-9(10)15/h2-3,6H,4-5,7H2,1H3,(H,16,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 394.24 g/mol, XLogP of 1.52, 7 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-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 9188783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).