3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide

C18H20FNO3S — CID 5177076

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCS(=O)(=O)Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H20FNO3S/c1-14(15-7-3-2-4-8-15)20-18(21)11-12-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyVVJFDXDGPMFAMG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.01
Rot. Bonds7

About 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide (PubChem CID 5177076) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
PubChem CID5177076
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCS(=O)(=O)Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H20FNO3S/c1-14(15-7-3-2-4-8-15)20-18(21)11-12-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyVVJFDXDGPMFAMG-UHFFFAOYSA-N
XLogP3.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-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)methylsulfonyl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide (CID 5177076) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCS(=O)(=O)Cc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide?
The InChIKey is VVJFDXDGPMFAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-14(15-7-3-2-4-8-15)20-18(21)11-12-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 5177076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).