2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide

C17H18FNOS — CID 51235350

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESCC(Sc1ccc(F)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H18FNOS/c1-13(21-16-9-7-15(18)8-10-16)17(20)19-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyIRTVBXCPSNQFNN-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.67
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide

2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide (PubChem CID 51235350) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
PubChem CID51235350
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESCC(Sc1ccc(F)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H18FNOS/c1-13(21-16-9-7-15(18)8-10-16)17(20)19-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyIRTVBXCPSNQFNN-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)sulfanyl-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

Related Compounds

(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 24500467
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806277
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide (CID 51235350) is 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide is CC(Sc1ccc(F)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The InChIKey is IRTVBXCPSNQFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-13(21-16-9-7-15(18)8-10-16)17(20)19-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide has a molecular weight of 303.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 51235350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).