N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide

C16H15Br2NO2S — CID 35040789

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2c(Br)cc(C)cc2Br)c1
InChIInChI=1S/C16H15Br2NO2S/c1-10-6-13(17)16(14(18)7-10)19-15(20)9-22-12-5-3-4-11(8-12)21-2/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPUFQDZQWGKPLMD-UHFFFAOYSA-N
MW445.18 g/mol
LogP5.26
Rot. Bonds5

About N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide

N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 35040789) has the molecular formula C16H15Br2NO2S and a molecular weight of 445.18 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID35040789
Molecular FormulaC16H15Br2NO2S
Molecular Weight445.18 g/mol
Exact Mass442.92
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2c(Br)cc(C)cc2Br)c1
InChIInChI=1S/C16H15Br2NO2S/c1-10-6-13(17)16(14(18)7-10)19-15(20)9-22-12-5-3-4-11(8-12)21-2/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPUFQDZQWGKPLMD-UHFFFAOYSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.18
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 71908026
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-(2,6-dibromo-4-methylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4210154
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47152631
N-(3-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316652
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803715

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide (CID 35040789) is N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)Nc2c(Br)cc(C)cc2Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is PUFQDZQWGKPLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2S/c1-10-6-13(17)16(14(18)7-10)19-15(20)9-22-12-5-3-4-11(8-12)21-2/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 445.18 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 35040789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).