2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide

C16H16BrNOS — CID 9342244

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1ccc(Br)cc1C
InChIInChI=1S/C16H16BrNOS/c1-11-5-3-4-6-14(11)18-16(19)10-20-15-8-7-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyQYMWHLMGYUGCPE-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.80
Rot. Bonds4

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 9342244) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID9342244
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1ccc(Br)cc1C
InChIInChI=1S/C16H16BrNOS/c1-11-5-3-4-6-14(11)18-16(19)10-20-15-8-7-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyQYMWHLMGYUGCPE-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 34143404
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2119755
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785441
4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27872538
2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43305969
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-bromo-2-methylphenyl)sulfanylacetamide
CID 55856136

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide (CID 9342244) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is QYMWHLMGYUGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-11-5-3-4-6-14(11)18-16(19)10-20-15-8-7-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 350.28 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 9342244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).