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

C17H18FNOS — CID 8740654

IUPAC(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESC[C@H](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)/t13-/m0/s1
InChIKeyIRTVBXCPSNQFNN-ZDUSSCGKSA-N
MW303.40 g/mol
LogP3.67
Rot. Bonds6

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

(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide (PubChem CID 8740654) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
PubChem CID8740654
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESC[C@H](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)/t13-/m0/s1
InChIKeyIRTVBXCPSNQFNN-ZDUSSCGKSA-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

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
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 (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide (CID 8740654) is (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide is C[C@H](Sc1ccc(F)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The InChIKey is IRTVBXCPSNQFNN-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
(2S)-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 (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 8740654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).