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

C15H12BrF2NOS — CID 2568250

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12BrF2NOS/c1-9-6-10(16)2-5-14(9)21-8-15(20)19-13-4-3-11(17)7-12(13)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyWRYDSISZEIIEEM-UHFFFAOYSA-N
MW372.23 g/mol
LogP4.77
Rot. Bonds4

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

2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide (PubChem CID 2568250) has the molecular formula C15H12BrF2NOS and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide
PubChem CID2568250
Molecular FormulaC15H12BrF2NOS
Molecular Weight372.23 g/mol
Exact Mass370.98
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12BrF2NOS/c1-9-6-10(16)2-5-14(9)21-8-15(20)19-13-4-3-11(17)7-12(13)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyWRYDSISZEIIEEM-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 54.77
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-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide (CID 2568250) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide is Cc1cc(Br)ccc1SCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide?
The InChIKey is WRYDSISZEIIEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NOS/c1-9-6-10(16)2-5-14(9)21-8-15(20)19-13-4-3-11(17)7-12(13)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide has a molecular weight of 372.23 g/mol, XLogP of 4.77, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 2568250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).