N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide

C20H18BrNOS — CID 126178248

IUPACN-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCc1cc(Br)c(NC(=O)CSc2cccc3ccccc23)cc1C
InChIInChI=1S/C20H18BrNOS/c1-13-10-17(21)18(11-14(13)2)22-20(23)12-24-19-9-5-7-15-6-3-4-8-16(15)19/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyFXXDXJMXSQXJNF-UHFFFAOYSA-N
MW400.34 g/mol
LogP5.95
Rot. Bonds4

About N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide

N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 126178248) has the molecular formula C20H18BrNOS and a molecular weight of 400.34 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
PubChem CID126178248
Molecular FormulaC20H18BrNOS
Molecular Weight400.34 g/mol
Exact Mass399.03
IUPAC NameN-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCc1cc(Br)c(NC(=O)CSc2cccc3ccccc23)cc1C
InChIInChI=1S/C20H18BrNOS/c1-13-10-17(21)18(11-14(13)2)22-20(23)12-24-19-9-5-7-15-6-3-4-8-16(15)19/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyFXXDXJMXSQXJNF-UHFFFAOYSA-N
XLogP5.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.34
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 126189699
N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 4237422
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 1019067
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
N-(2-bromo-4,5-dimethylphenyl)-2-[[4-methyl-5-[(1R)-1-phenoxyethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 93478345
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9457701
2-[5-[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CID 126359898
N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide (CID 126178248) is N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide is Cc1cc(Br)c(NC(=O)CSc2cccc3ccccc23)cc1C.
What is the InChIKey of N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is FXXDXJMXSQXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNOS/c1-13-10-17(21)18(11-14(13)2)22-20(23)12-24-19-9-5-7-15-6-3-4-8-16(15)19/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide?
N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 400.34 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 126178248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).