2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide

C19H23NO2S — CID 2218450

IUPAC2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H23NO2S/c1-14(2)15-8-4-6-10-17(15)20-19(21)16-9-5-7-11-18(16)23-13-12-22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyXWMOSCSMYMNAND-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.80
Rot. Bonds7

About 2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide

2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 2218450) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID2218450
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H23NO2S/c1-14(2)15-8-4-6-10-17(15)20-19(21)16-9-5-7-11-18(16)23-13-12-22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyXWMOSCSMYMNAND-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.80
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-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide (CID 2218450) is 2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide is COCCSc1ccccc1C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is XWMOSCSMYMNAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(2)15-8-4-6-10-17(15)20-19(21)16-9-5-7-11-18(16)23-13-12-22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide?
2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 329.47 g/mol, XLogP of 4.80, 7 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-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 2218450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).