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

C16H16FNO2S — CID 95332151

IUPAC(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(F)c1
InChIInChI=1S/C16H16FNO2S/c1-12(16(19)18-15-8-3-2-4-9-15)21(20)11-13-6-5-7-14(17)10-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-,21+/m1/s1
InChIKeyPCBWMVXKQUZMGM-GTJPDFRWSA-N
MW305.37 g/mol
LogP3.10
Rot. Bonds5

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

(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide (PubChem CID 95332151) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
PubChem CID95332151
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(F)c1
InChIInChI=1S/C16H16FNO2S/c1-12(16(19)18-15-8-3-2-4-9-15)21(20)11-13-6-5-7-14(17)10-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-,21+/m1/s1
InChIKeyPCBWMVXKQUZMGM-GTJPDFRWSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330395
2-[(3-fluorophenyl)methylsulfinyl]propanoic acid
CID 60981912
(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 95599547
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95332184
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
(2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide
CID 95599542
3-[(3-fluorophenyl)methylsulfinyl]butanoic acid
CID 66114827
(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide (CID 95332151) is (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide is C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(F)c1.
What is the InChIKey of (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide?
The InChIKey is PCBWMVXKQUZMGM-GTJPDFRWSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-12(16(19)18-15-8-3-2-4-9-15)21(20)11-13-6-5-7-14(17)10-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-,21+/m1/s1.
What are the key properties of (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide?
(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide has a molecular weight of 305.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide is sourced from PubChem (CID 95332151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).