(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide

C13H18FNO3S — CID 97088403

IUPAC(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide
SMILESC[C@H](NC(=O)[C@@H](C)[S@@](=O)CCO)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-9(11-3-5-12(14)6-4-11)15-13(17)10(2)19(18)8-7-16/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)/t9-,10+,19-/m0/s1
InChIKeyBFTJPKVFMJYKLZ-DQPNGWRMSA-N
MW287.36 g/mol
LogP1.13
Rot. Bonds6

About (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide

(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide (PubChem CID 97088403) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide
PubChem CID97088403
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide
SMILESC[C@H](NC(=O)[C@@H](C)[S@@](=O)CCO)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-9(11-3-5-12(14)6-4-11)15-13(17)10(2)19(18)8-7-16/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)/t9-,10+,19-/m0/s1
InChIKeyBFTJPKVFMJYKLZ-DQPNGWRMSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyethylsulfinyl)propanamide
CID 71911762
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81348111
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81347208
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide
CID 65292258
2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
CID 107472487
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide (CID 97088403) is (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide is C[C@H](NC(=O)[C@@H](C)[S@@](=O)CCO)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide?
The InChIKey is BFTJPKVFMJYKLZ-DQPNGWRMSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9(11-3-5-12(14)6-4-11)15-13(17)10(2)19(18)8-7-16/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)/t9-,10+,19-/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide?
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide is sourced from PubChem (CID 97088403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).