(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide

C17H18FNO2S — CID 95169183

IUPAC(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
SMILESCc1cccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H18FNO2S/c1-12-6-5-7-14(10-12)11-22(21)13(2)17(20)19-16-9-4-3-8-15(16)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-,22+/m1/s1
InChIKeyLYAGBOZYQDWDPG-DMZKTXOQSA-N
MW319.40 g/mol
LogP3.41
Rot. Bonds5

About (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide

(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide (PubChem CID 95169183) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
PubChem CID95169183
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
SMILESCc1cccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H18FNO2S/c1-12-6-5-7-14(10-12)11-22(21)13(2)17(20)19-16-9-4-3-8-15(16)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-,22+/m1/s1
InChIKeyLYAGBOZYQDWDPG-DMZKTXOQSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351
(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169378
(2S)-N-tert-butyl-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95278864
(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide
CID 95329730
(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 95599547
3-[(3-methylphenyl)methylsulfinyl]butan-2-one
CID 64637393
2-[(3-methylphenyl)methylsulfinyl]-1-phenylpropan-1-one
CID 64635692
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808134
(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862517

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide (CID 95169183) is (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide is Cc1cccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2F)c1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide?
The InChIKey is LYAGBOZYQDWDPG-DMZKTXOQSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-12-6-5-7-14(10-12)11-22(21)13(2)17(20)19-16-9-4-3-8-15(16)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-,22+/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide?
(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide has a molecular weight of 319.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide is sourced from PubChem (CID 95169183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).