2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide

C17H19NO2S — CID 32935041

IUPAC2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide
SMILESCCSc1ccccc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-2-21-16-11-7-6-10-15(16)17(19)18-12-13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyHZGAYBHTRNVENA-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.61
Rot. Bonds7

About 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide

2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide (PubChem CID 32935041) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide
PubChem CID32935041
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide
SMILESCCSc1ccccc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-2-21-16-11-7-6-10-15(16)17(19)18-12-13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyHZGAYBHTRNVENA-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-methylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 26903219
methyl 2-[2-(3-phenoxypropylcarbamoyl)phenyl]sulfanylpropanoate
CID 55870912
N-but-3-ynyl-2-ethylsulfanylbenzamide
CID 90537926
2-ethylsulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984626
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51246767
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34732993
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328
N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
CID 53285872
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide (CID 32935041) is 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide is CCSc1ccccc1C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is HZGAYBHTRNVENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-21-16-11-7-6-10-15(16)17(19)18-12-13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,18,19).
What are the key properties of 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide?
2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 301.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 32935041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).