2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide

C15H14BrNOS — CID 898406

IUPAC2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNOS/c1-19-14-5-3-2-4-13(14)17-15(18)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFLPPWYGIQJCSCT-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.35
Rot. Bonds4

About 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide

2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 898406) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID898406
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNOS/c1-19-14-5-3-2-4-13(14)17-15(18)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFLPPWYGIQJCSCT-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(methylsulfanyl)phenyl]benzamide
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N-[2-(methylthio)phenyl]-3-phenylpropanamide
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N-(2-methylsulfanylphenyl)-2-phenylacetamide
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2-phenyl-N-(2-phenylsulfanylphenyl)acetamide
CID 900782
2-[(4-bromobenzyl)thio]-N-[2-(methylthio)phenyl]acetamide
CID 2301837
N-(4-bromophenyl)-2-phenylacetamide
CID 344475
4'-(Methylthio)-3-phenylpropionanilide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide (CID 898406) is 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is FLPPWYGIQJCSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-19-14-5-3-2-4-13(14)17-15(18)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide?
2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 336.25 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 898406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).