2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C18H15Cl2N3O2S — CID 50875190

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H15Cl2N3O2S/c19-14-7-6-13(15(20)8-14)10-26-11-16(24)21-9-17-22-18(23-25-17)12-4-2-1-3-5-12/h1-8H,9-11H2,(H,21,24)
InChIKeyAEPOWVOZLMVUQY-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.59
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 50875190) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID50875190
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H15Cl2N3O2S/c19-14-7-6-13(15(20)8-14)10-26-11-16(24)21-9-17-22-18(23-25-17)12-4-2-1-3-5-12/h1-8H,9-11H2,(H,21,24)
InChIKeyAEPOWVOZLMVUQY-UHFFFAOYSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 50759593
2-(2,4-dichlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2986657
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenylacetamide
CID 50759748
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 46964298
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50874751
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-propylacetamide
CID 50759756
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 50874874
6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide
CID 16673322
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 50875190) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is AEPOWVOZLMVUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c19-14-7-6-13(15(20)8-14)10-26-11-16(24)21-9-17-22-18(23-25-17)12-4-2-1-3-5-12/h1-8H,9-11H2,(H,21,24).
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 408.31 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50875190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).