2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide

C19H21NO3S — CID 26352192

IUPAC2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15(21)16-8-10-17(11-9-16)23-14-19(22)20-12-5-13-24-18-6-3-2-4-7-18/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
InChIKeyDBGBUFJQTUTMMR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.57
Rot. Bonds9

About 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide

2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 26352192) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID26352192
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15(21)16-8-10-17(11-9-16)23-14-19(22)20-12-5-13-24-18-6-3-2-4-7-18/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
InChIKeyDBGBUFJQTUTMMR-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 27828609
2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 26374064
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 26635741
2-(3-methyl-4-nitrophenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 8648025
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide
CID 27828642
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642
4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 27887851
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033289
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide (CID 26352192) is 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide is CC(=O)c1ccc(OCC(=O)NCCCSc2ccccc2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is DBGBUFJQTUTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15(21)16-8-10-17(11-9-16)23-14-19(22)20-12-5-13-24-18-6-3-2-4-7-18/h2-4,6-11H,5,12-14H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide?
2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 26352192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).