2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C17H18BrNO2S — CID 8957063

IUPAC2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)COc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO2S/c1-13-6-8-14(9-7-13)22-11-10-19-17(20)12-21-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyLFOQHYHWJZNNOP-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.04
Rot. Bonds7

About 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 8957063) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID8957063
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC Name2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)COc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO2S/c1-13-6-8-14(9-7-13)22-11-10-19-17(20)12-21-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyLFOQHYHWJZNNOP-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9173698
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
2-(3,4-dichlorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604221
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
ethyl 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzoate
CID 9371413
2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
CID 8529413
2-(3-formylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9368522
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629041
2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 60529897
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 33195214
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 8957063) is 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCNC(=O)COc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is LFOQHYHWJZNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-13-6-8-14(9-7-13)22-11-10-19-17(20)12-21-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 380.31 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 8957063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).