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

C17H18FNO2S — CID 95599409

IUPAC(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccccc1F
InChIInChI=1S/C17H18FNO2S/c1-13(17(20)19-11-14-7-3-2-4-8-14)22(21)12-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-,22+/m0/s1
InChIKeyYZMHTKQBEVYBBB-WHEQGISXSA-N
MW319.40 g/mol
LogP2.78
Rot. Bonds6

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

(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide (PubChem CID 95599409) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
PubChem CID95599409
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccccc1F
InChIInChI=1S/C17H18FNO2S/c1-13(17(20)19-11-14-7-3-2-4-8-14)22(21)12-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-,22+/m0/s1
InChIKeyYZMHTKQBEVYBBB-WHEQGISXSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-2-[(R)-(2-methylphenyl)methylsulfinyl]propanamide
CID 95599295
(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide
CID 95599465
(2R)-N-benzyl-2-[(S)-(2-chlorophenyl)methylsulfinyl]propanamide
CID 95599464
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide
CID 95599579
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351
(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599423
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide (CID 95599409) is (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide is C[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccccc1F.
What is the InChIKey of (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide?
The InChIKey is YZMHTKQBEVYBBB-WHEQGISXSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13(17(20)19-11-14-7-3-2-4-8-14)22(21)12-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-,22+/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide?
(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide has a molecular weight of 319.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide is sourced from PubChem (CID 95599409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).