2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide

C18H21NO2S — CID 2218462

IUPAC2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide
SMILESCOCCSc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-21-13-14-22-17-10-6-5-9-16(17)18(20)19-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,20)
InChIKeyHTNNUNHVTBORPU-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.40
Rot. Bonds8

About 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide

2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide (PubChem CID 2218462) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide
PubChem CID2218462
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide
SMILESCOCCSc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-21-13-14-22-17-10-6-5-9-16(17)18(20)19-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,20)
InChIKeyHTNNUNHVTBORPU-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide (CID 2218462) is 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide is COCCSc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide?
The InChIKey is HTNNUNHVTBORPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-21-13-14-22-17-10-6-5-9-16(17)18(20)19-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,20).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide?
2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide has a molecular weight of 315.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 2218462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).