2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide

C16H15BrFNOS — CID 2529576

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2F)c(C)cc1Br
InChIInChI=1S/C16H15BrFNOS/c1-10-8-15(11(2)7-12(10)17)21-9-16(20)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyMTVPYFWCBYBIIU-UHFFFAOYSA-N
MW368.27 g/mol
LogP4.94
Rot. Bonds4

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 2529576) has the molecular formula C16H15BrFNOS and a molecular weight of 368.27 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID2529576
Molecular FormulaC16H15BrFNOS
Molecular Weight368.27 g/mol
Exact Mass367.00
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2F)c(C)cc1Br
InChIInChI=1S/C16H15BrFNOS/c1-10-8-15(11(2)7-12(10)17)21-9-16(20)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyMTVPYFWCBYBIIU-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromobenzyl)thio]-N-phenylacetamide
CID 875433
N-(4-bromo-2-methylphenyl)-3-(phenylsulfanyl)propanamide
CID 1252378
N-(4-bromo-3-methylphenyl)-3-(phenylthio)propanamide
CID 1338487
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4639270
N-(4-bromo-3-methylphenyl)-3-[(4-methylphenyl)sulfanyl]propanamide
CID 1306156
2-[(2-bromobenzyl)thio]-N-[2-(methylthio)phenyl]acetamide
CID 2205970
N-(4-bromo-3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 980079
[2-(2,5-Difluoroanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 2364697
2-[(4-bromophenyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2194605
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 980077
N-(4-bromo-2-methylphenyl)-2-[(4-bromophenyl)sulfanyl]acetamide
CID 4079644
N-(4-bromo-3-methylphenyl)-2-[(4-bromophenyl)sulfanyl]acetamide
CID 4097298

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 2529576) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide is Cc1cc(SCC(=O)Nc2ccccc2F)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is MTVPYFWCBYBIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNOS/c1-10-8-15(11(2)7-12(10)17)21-9-16(20)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 368.27 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2529576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).