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

C16H15BrFNOS — CID 7995515

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1ccc(Br)cc1C
InChIInChI=1S/C16H15BrFNOS/c1-10-3-5-13(18)8-14(10)19-16(20)9-21-15-6-4-12(17)7-11(15)2/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyJFTDSLFHERPNDQ-UHFFFAOYSA-N
MW368.27 g/mol
LogP4.94
Rot. Bonds4

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

2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 7995515) has the molecular formula C16H15BrFNOS and a molecular weight of 368.27 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID7995515
Molecular FormulaC16H15BrFNOS
Molecular Weight368.27 g/mol
Exact Mass367.00
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1ccc(Br)cc1C
InChIInChI=1S/C16H15BrFNOS/c1-10-3-5-13(18)8-14(10)19-16(20)9-21-15-6-4-12(17)7-11(15)2/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyJFTDSLFHERPNDQ-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-(2-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 720565
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
N-(4-bromo-2-methylphenyl)-3-phenylsulfanylpropanamide
CID 1252378
N-(4-bromo-3-methylphenyl)-3-(phenylthio)propanamide
CID 1338487
2-[(4-bromobenzyl)thio]-N-[2-(methylthio)phenyl]acetamide
CID 2301837
3-[(4-bromophenyl)sulfonyl]-N-(2,6-dimethylphenyl)propanamide
CID 3457956
3-[(4-bromophenyl)sulfonyl]-N-(2-ethylphenyl)propanamide
CID 3457957
3-[(4-bromophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3457958
3-[(4-bromophenyl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 4293413
3-[(4-bromophenyl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 1343016
3-(4-Bromobenzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 4085382

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (CID 7995515) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CSc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is JFTDSLFHERPNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNOS/c1-10-3-5-13(18)8-14(10)19-16(20)9-21-15-6-4-12(17)7-11(15)2/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)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-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 7995515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).