2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide

C16H16BrNO2S — CID 8968994

IUPAC2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
SMILESCOc1ccc(Br)cc1CSCC(=O)Nc1ccccc1
InChIInChI=1S/C16H16BrNO2S/c1-20-15-8-7-13(17)9-12(15)10-21-11-16(19)18-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyGWMZVGNQNSSUPT-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.33
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide

2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide (PubChem CID 8968994) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
PubChem CID8968994
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
SMILESCOc1ccc(Br)cc1CSCC(=O)Nc1ccccc1
InChIInChI=1S/C16H16BrNO2S/c1-20-15-8-7-13(17)9-12(15)10-21-11-16(19)18-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyGWMZVGNQNSSUPT-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8969240
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479
2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 8970699
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide
CID 8819584
N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide
CID 134016970
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
CID 25429308
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
methyl 2-[1-[(5-bromo-2-methoxyphenyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776410

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide (CID 8968994) is 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide is COc1ccc(Br)cc1CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide?
The InChIKey is GWMZVGNQNSSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-20-15-8-7-13(17)9-12(15)10-21-11-16(19)18-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide?
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide has a molecular weight of 366.28 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 8968994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).