(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide

C17H18FNO2S — CID 95599423

IUPAC(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ccccc1F
InChIInChI=1S/C17H18FNO2S/c1-13(17(20)19(2)15-9-4-3-5-10-15)22(21)12-14-8-6-7-11-16(14)18/h3-11,13H,12H2,1-2H3/t13-,22-/m0/s1
InChIKeyRFWVBCVHLGPJJA-XMHCIUCPSA-N
MW319.40 g/mol
LogP3.13
Rot. Bonds5

About (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide

(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide (PubChem CID 95599423) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
PubChem CID95599423
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ccccc1F
InChIInChI=1S/C17H18FNO2S/c1-13(17(20)19(2)15-9-4-3-5-10-15)22(21)12-14-8-6-7-11-16(14)18/h3-11,13H,12H2,1-2H3/t13-,22-/m0/s1
InChIKeyRFWVBCVHLGPJJA-XMHCIUCPSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide
CID 95599311
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599519
(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
CID 95599409
(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599453
N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide
CID 75407096
3-[(2-fluorophenyl)methylsulfinyl]propanoic acid
CID 60982003
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7991651
4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
CID 104698060
2,3,3-trifluoro-N-methyl-N-phenylpropanamide
CID 174784767
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide (CID 95599423) is (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide is C[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ccccc1F.
What is the InChIKey of (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide?
The InChIKey is RFWVBCVHLGPJJA-XMHCIUCPSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13(17(20)19(2)15-9-4-3-5-10-15)22(21)12-14-8-6-7-11-16(14)18/h3-11,13H,12H2,1-2H3/t13-,22-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide?
(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide has a molecular weight of 319.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 95599423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).