2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide

C18H20FNO2S — CID 73168390

IUPAC2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC(OC)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2S/c1-3-23-17-10-5-4-9-15(17)18(21)20-12-16(22-2)13-7-6-8-14(19)11-13/h4-11,16H,3,12H2,1-2H3,(H,20,21)
InChIKeyKDXCBQRGWHIDAR-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.06
Rot. Bonds7

About 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide

2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide (PubChem CID 73168390) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
PubChem CID73168390
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC(OC)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2S/c1-3-23-17-10-5-4-9-15(17)18(21)20-12-16(22-2)13-7-6-8-14(19)11-13/h4-11,16H,3,12H2,1-2H3,(H,20,21)
InChIKeyKDXCBQRGWHIDAR-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide (CID 73168390) is 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide is CCSc1ccccc1C(=O)NCC(OC)c1cccc(F)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide?
The InChIKey is KDXCBQRGWHIDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-3-23-17-10-5-4-9-15(17)18(21)20-12-16(22-2)13-7-6-8-14(19)11-13/h4-11,16H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide?
2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide has a molecular weight of 333.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide is sourced from PubChem (CID 73168390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).