3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide

C19H22FNOS — CID 5051693

IUPAC3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide
SMILESCN(CCc1ccccc1)C(=O)CCSCc1ccccc1F
InChIInChI=1S/C19H22FNOS/c1-21(13-11-16-7-3-2-4-8-16)19(22)12-14-23-15-17-9-5-6-10-18(17)20/h2-10H,11-15H2,1H3
InChIKeyPFTSROXDWKSJIN-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.15
Rot. Bonds8

About 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide

3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide (PubChem CID 5051693) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide
PubChem CID5051693
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide
SMILESCN(CCc1ccccc1)C(=O)CCSCc1ccccc1F
InChIInChI=1S/C19H22FNOS/c1-21(13-11-16-7-3-2-4-8-16)19(22)12-14-23-15-17-9-5-6-10-18(17)20/h2-10H,11-15H2,1H3
InChIKeyPFTSROXDWKSJIN-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide 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 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide (CID 5051693) is 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide is CN(CCc1ccccc1)C(=O)CCSCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide?
The InChIKey is PFTSROXDWKSJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-21(13-11-16-7-3-2-4-8-16)19(22)12-14-23-15-17-9-5-6-10-18(17)20/h2-10H,11-15H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide?
3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 5051693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).