2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide

C17H18FNOS — CID 891225

IUPAC2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18FNOS/c18-16-8-6-14(7-9-16)10-11-19-17(20)13-21-12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)
InChIKeyKBCOFPKGCJPZHO-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.42
Rot. Bonds7

About 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide

2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 891225) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID891225
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18FNOS/c18-16-8-6-14(7-9-16)10-11-19-17(20)13-21-12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)
InChIKeyKBCOFPKGCJPZHO-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]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-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 891225) is 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CSCc1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is KBCOFPKGCJPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c18-16-8-6-14(7-9-16)10-11-19-17(20)13-21-12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20).
What are the key properties of 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 891225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).