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

C17H19NO3S — CID 46485144

IUPACN-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
SMILESCSc1ccc(NC(=O)COCCOc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-22-16-9-7-14(8-10-16)18-17(19)13-20-11-12-21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyHLWSDZWEDCCOQD-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.44
Rot. Bonds8

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

N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide (PubChem CID 46485144) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
PubChem CID46485144
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
SMILESCSc1ccc(NC(=O)COCCOc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-22-16-9-7-14(8-10-16)18-17(19)13-20-11-12-21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyHLWSDZWEDCCOQD-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.44
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-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
2-[(3-methoxyphenyl)methoxy]-N-(4-methylsulfanylphenyl)acetamide
CID 46493576
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669396
2-[methyl-[2-(2-phenoxyethoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 55702661
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
2-(2,6-dichlorophenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669347

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide (CID 46485144) is N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide is CSc1ccc(NC(=O)COCCOc2ccccc2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide?
The InChIKey is HLWSDZWEDCCOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-22-16-9-7-14(8-10-16)18-17(19)13-20-11-12-21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide?
N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 46485144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).