2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C21H27NO2S — CID 9173698

IUPAC2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2S/c1-16-9-11-17(12-10-16)25-14-13-22-20(23)15-24-19-8-6-5-7-18(19)21(2,3)4/h5-12H,13-15H2,1-4H3,(H,22,23)
InChIKeyBHOYAOCTRBVFEY-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.58
Rot. Bonds7

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

2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 9173698) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID9173698
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2S/c1-16-9-11-17(12-10-16)25-14-13-22-20(23)15-24-19-8-6-5-7-18(19)21(2,3)4/h5-12H,13-15H2,1-4H3,(H,22,23)
InChIKeyBHOYAOCTRBVFEY-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.58
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-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8957063
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
CID 60551513
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629041
6-[[2-(2-tert-butylphenoxy)acetyl]amino]hexanoic acid
CID 53263967
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
ethyl 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzoate
CID 9371413
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
CID 108541189
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 9173698) is 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCNC(=O)COc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is BHOYAOCTRBVFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-16-9-11-17(12-10-16)25-14-13-22-20(23)15-24-19-8-6-5-7-18(19)21(2,3)4/h5-12H,13-15H2,1-4H3,(H,22,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 357.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 9173698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).