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

C17H17BrFNOS — CID 2110175

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2cc(F)ccc2C)c(C)cc1Br
InChIInChI=1S/C17H17BrFNOS/c1-10-4-5-13(19)8-15(10)20-17(21)9-22-16-7-11(2)14(18)6-12(16)3/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyZXPOJJMAPWXYPU-UHFFFAOYSA-N
MW382.30 g/mol
LogP5.24
Rot. Bonds4

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

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 2110175) has the molecular formula C17H17BrFNOS and a molecular weight of 382.30 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID2110175
Molecular FormulaC17H17BrFNOS
Molecular Weight382.30 g/mol
Exact Mass381.02
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2cc(F)ccc2C)c(C)cc1Br
InChIInChI=1S/C17H17BrFNOS/c1-10-4-5-13(19)8-15(10)20-17(21)9-22-16-7-11(2)14(18)6-12(16)3/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyZXPOJJMAPWXYPU-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-phenylsulfanylpropanamide
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
3-[(4-bromophenyl)sulfonyl]-N-(2-ethylphenyl)propanamide
CID 3457957
3-[(4-bromophenyl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 4293413
2-[(2-bromobenzyl)thio]-N-[2-(methylthio)phenyl]acetamide
CID 2205970
N-(4-bromo-3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 980079
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
N-(4-bromo-2-methylphenyl)-2-(phenylsulfanyl)acetamide
CID 965598
Cambridge id 6220654
CID 1336567

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (CID 2110175) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is Cc1cc(SCC(=O)Nc2cc(F)ccc2C)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is ZXPOJJMAPWXYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNOS/c1-10-4-5-13(19)8-15(10)20-17(21)9-22-16-7-11(2)14(18)6-12(16)3/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 382.30 g/mol, XLogP of 5.24, 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-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 2110175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).