2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide

C21H21NO2S — CID 60542543

IUPAC2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(CSCc1cccc2ccccc12)NCCOc1ccccc1
InChIInChI=1S/C21H21NO2S/c23-21(22-13-14-24-19-10-2-1-3-11-19)16-25-15-18-9-6-8-17-7-4-5-12-20(17)18/h1-12H,13-16H2,(H,22,23)
InChIKeyXWQKFAUHIOVHKI-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.27
Rot. Bonds8

About 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide

2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide (PubChem CID 60542543) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
PubChem CID60542543
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(CSCc1cccc2ccccc12)NCCOc1ccccc1
InChIInChI=1S/C21H21NO2S/c23-21(22-13-14-24-19-10-2-1-3-11-19)16-25-15-18-9-6-8-17-7-4-5-12-20(17)18/h1-12H,13-16H2,(H,22,23)
InChIKeyXWQKFAUHIOVHKI-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.27
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-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 47320973
N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058118
N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 30349918
2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 66290707
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26676729
N-(2-phenoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8535303
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
CID 100508850
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
N-[2-(2-fluorophenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 3107151

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide (CID 60542543) is 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide is O=C(CSCc1cccc2ccccc12)NCCOc1ccccc1.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is XWQKFAUHIOVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c23-21(22-13-14-24-19-10-2-1-3-11-19)16-25-15-18-9-6-8-17-7-4-5-12-20(17)18/h1-12H,13-16H2,(H,22,23).
What are the key properties of 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide?
2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 60542543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).