2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide

C15H15BrN2OS — CID 154775237

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccn2)c(C)cc1Br
InChIInChI=1S/C15H15BrN2OS/c1-10-8-13(11(2)7-12(10)16)20-9-15(19)18-14-5-3-4-6-17-14/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyWUVZXVIXPMNMNP-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 154775237) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
PubChem CID154775237
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccn2)c(C)cc1Br
InChIInChI=1S/C15H15BrN2OS/c1-10-8-13(11(2)7-12(10)16)20-9-15(19)18-14-5-3-4-6-17-14/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyWUVZXVIXPMNMNP-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 47388358
N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 26499660
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 60559033
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 933898
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 51162015
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
N-[2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 38202282
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 55766060
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 43418672
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 24681883

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide (CID 154775237) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide is Cc1cc(SCC(=O)Nc2ccccn2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is WUVZXVIXPMNMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10-8-13(11(2)7-12(10)16)20-9-15(19)18-14-5-3-4-6-17-14/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 351.27 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 154775237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).