2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide

C18H20FNO2S — CID 73168389

IUPAC2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
SMILESCOC(CNC(=O)CSCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2S/c1-22-17(15-8-5-9-16(19)10-15)11-20-18(21)13-23-12-14-6-3-2-4-7-14/h2-10,17H,11-13H2,1H3,(H,20,21)
InChIKeyRJBKIWOHADPWQI-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.56
Rot. Bonds8

About 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide

2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide (PubChem CID 73168389) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
PubChem CID73168389
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
SMILESCOC(CNC(=O)CSCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2S/c1-22-17(15-8-5-9-16(19)10-15)11-20-18(21)13-23-12-14-6-3-2-4-7-14/h2-10,17H,11-13H2,1H3,(H,20,21)
InChIKeyRJBKIWOHADPWQI-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide 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-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide (CID 73168389) is 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide is COC(CNC(=O)CSCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide?
The InChIKey is RJBKIWOHADPWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-22-17(15-8-5-9-16(19)10-15)11-20-18(21)13-23-12-14-6-3-2-4-7-14/h2-10,17H,11-13H2,1H3,(H,20,21).
What are the key properties of 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide?
2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide is sourced from PubChem (CID 73168389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).