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

C14H19NO2S — CID 2956620

IUPAC2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCSc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C14H19NO2S/c1-2-18-13-8-4-3-7-12(13)14(16)15-10-11-6-5-9-17-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyRYPAVWNUMVTUOQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.71
Rot. Bonds5

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

2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2956620) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2956620
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCSc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C14H19NO2S/c1-2-18-13-8-4-3-7-12(13)14(16)15-10-11-6-5-9-17-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyRYPAVWNUMVTUOQ-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide (CID 2956620) is 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide is CCSc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RYPAVWNUMVTUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-18-13-8-4-3-7-12(13)14(16)15-10-11-6-5-9-17-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide?
2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 265.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2956620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).