N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide

C17H19NO2S — CID 3117798

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
SMILESCc1ccc(SCCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)21-12-11-18-17(19)13-20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyGRINOGSNZSEDLO-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide

N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide (PubChem CID 3117798) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
PubChem CID3117798
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
SMILESCc1ccc(SCCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)21-12-11-18-17(19)13-20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyGRINOGSNZSEDLO-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.28
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-(3-formylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9368522
2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8957063
2-(3,4-dichlorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604221
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9173698
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 27828609
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyldisulfanyl]propanoic acid
CID 166422763
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 26635741
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide (CID 3117798) is N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide is Cc1ccc(SCCNC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide?
The InChIKey is GRINOGSNZSEDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)21-12-11-18-17(19)13-20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide?
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide is sourced from PubChem (CID 3117798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).