2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide

C15H21NO3S — CID 2963121

IUPAC2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCOCCSc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C15H21NO3S/c1-18-9-10-20-14-7-3-2-6-13(14)15(17)16-11-12-5-4-8-19-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,17)
InChIKeyVVXJPSDSOCKAKB-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.33
Rot. Bonds7

About 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide

2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2963121) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2963121
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCOCCSc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C15H21NO3S/c1-18-9-10-20-14-7-3-2-6-13(14)15(17)16-11-12-5-4-8-19-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,17)
InChIKeyVVXJPSDSOCKAKB-UHFFFAOYSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide (CID 2963121) is 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide is COCCSc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is VVXJPSDSOCKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-18-9-10-20-14-7-3-2-6-13(14)15(17)16-11-12-5-4-8-19-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,17).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide?
2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 295.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2963121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).