2-ethylsulfanyl-N-(2-phenylethyl)benzamide

C17H19NOS — CID 971228

IUPAC2-ethylsulfanyl-N-(2-phenylethyl)benzamide
SMILESCCSc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-20-16-11-7-6-10-15(16)17(19)18-13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyJJIJAJOTBUUNDK-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.77
Rot. Bonds6

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

2-ethylsulfanyl-N-(2-phenylethyl)benzamide (PubChem CID 971228) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-phenylethyl)benzamide
PubChem CID971228
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-ethylsulfanyl-N-(2-phenylethyl)benzamide
SMILESCCSc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-20-16-11-7-6-10-15(16)17(19)18-13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyJJIJAJOTBUUNDK-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(2-phenylethyl)benzamide (CID 971228) is 2-ethylsulfanyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(2-phenylethyl)benzamide is CCSc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-N-(2-phenylethyl)benzamide?
The InChIKey is JJIJAJOTBUUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-20-16-11-7-6-10-15(16)17(19)18-13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,18,19).
What are the key properties of 2-ethylsulfanyl-N-(2-phenylethyl)benzamide?
2-ethylsulfanyl-N-(2-phenylethyl)benzamide has a molecular weight of 285.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 971228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).