2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide

C19H18BrN3O2S — CID 55766060

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccccc2NC(=O)CSc2cc(C)c(Br)cc2C)no1
InChIInChI=1S/C19H18BrN3O2S/c1-11-9-17(12(2)8-15(11)20)26-10-18(24)22-16-7-5-4-6-14(16)19-21-13(3)25-23-19/h4-9H,10H2,1-3H3,(H,22,24)
InChIKeyXJJLIYOUKZVUOW-UHFFFAOYSA-N
MW432.34 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 55766060) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID55766060
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccccc2NC(=O)CSc2cc(C)c(Br)cc2C)no1
InChIInChI=1S/C19H18BrN3O2S/c1-11-9-17(12(2)8-15(11)20)26-10-18(24)22-16-7-5-4-6-14(16)19-21-13(3)25-23-19/h4-9H,10H2,1-3H3,(H,22,24)
InChIKeyXJJLIYOUKZVUOW-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.34
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide with MolForge

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Related Compounds

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
CID 154775237
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 24681883
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 55766189
N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 26499660
4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700547
N-[2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 38202282
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 47388358
4-bromo-3-(dimethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700495
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55813762
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 55700339
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 2390710

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (CID 55766060) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is Cc1nc(-c2ccccc2NC(=O)CSc2cc(C)c(Br)cc2C)no1.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is XJJLIYOUKZVUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c1-11-9-17(12(2)8-15(11)20)26-10-18(24)22-16-7-5-4-6-14(16)19-21-13(3)25-23-19/h4-9H,10H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide has a molecular weight of 432.34 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 55766060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).