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

C16H14BrF2NOS — CID 3593093

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccc(F)cc2F)c(C)cc1Br
InChIInChI=1S/C16H14BrF2NOS/c1-9-6-15(10(2)5-12(9)17)22-8-16(21)20-14-4-3-11(18)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyQSQURCPIMYWEMA-UHFFFAOYSA-N
MW386.26 g/mol
LogP5.07
Rot. Bonds4

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

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide (PubChem CID 3593093) has the molecular formula C16H14BrF2NOS and a molecular weight of 386.26 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide
PubChem CID3593093
Molecular FormulaC16H14BrF2NOS
Molecular Weight386.26 g/mol
Exact Mass384.99
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccc(F)cc2F)c(C)cc1Br
InChIInChI=1S/C16H14BrF2NOS/c1-9-6-15(10(2)5-12(9)17)22-8-16(21)20-14-4-3-11(18)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyQSQURCPIMYWEMA-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide (CID 3593093) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide is Cc1cc(SCC(=O)Nc2ccc(F)cc2F)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide?
The InChIKey is QSQURCPIMYWEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NOS/c1-9-6-15(10(2)5-12(9)17)22-8-16(21)20-14-4-3-11(18)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide has a molecular weight of 386.26 g/mol, XLogP of 5.07, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 3593093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).