2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide

C17H19NO2S — CID 30349604

IUPAC2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
SMILESO=C(CSCc1ccccc1)NCCOc1ccccc1
InChIInChI=1S/C17H19NO2S/c19-17(14-21-13-15-7-3-1-4-8-15)18-11-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyNBEJBSVMWHGOJV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.12
Rot. Bonds8

About 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide

2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide (PubChem CID 30349604) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
PubChem CID30349604
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
SMILESO=C(CSCc1ccccc1)NCCOc1ccccc1
InChIInChI=1S/C17H19NO2S/c19-17(14-21-13-15-7-3-1-4-8-15)18-11-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyNBEJBSVMWHGOJV-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.12
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-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 60542543
2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate
CID 125462748
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 66290707
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26676729
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
CID 41246801
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279569
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide (CID 30349604) is 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide is O=C(CSCc1ccccc1)NCCOc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide?
The InChIKey is NBEJBSVMWHGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(14-21-13-15-7-3-1-4-8-15)18-11-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide?
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 30349604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).