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

C18H20FNO2S — CID 95599542

IUPAC(2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)Cc1ccccc1)[S@@](=O)Cc1cccc(F)c1
InChIInChI=1S/C18H20FNO2S/c1-14(23(22)13-16-9-6-10-17(19)11-16)18(21)20(2)12-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3/t14-,23+/m1/s1
InChIKeyWFHOWGHVEFEXQO-FATZIPQQSA-N
MW333.43 g/mol
LogP3.12
Rot. Bonds6

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

(2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide (PubChem CID 95599542) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide
PubChem CID95599542
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name(2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)Cc1ccccc1)[S@@](=O)Cc1cccc(F)c1
InChIInChI=1S/C18H20FNO2S/c1-14(23(22)13-16-9-6-10-17(19)11-16)18(21)20(2)12-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3/t14-,23+/m1/s1
InChIKeyWFHOWGHVEFEXQO-FATZIPQQSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide 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

(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553
2-[(3-fluorophenyl)methylsulfinyl]propanoic acid
CID 60981912
(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 95332151
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
3-[(3-fluorophenyl)methylsulfinyl]butanoic acid
CID 66114827
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-[(3-fluorophenyl)methylsulfinyl]-2-phenylacetic acid
CID 123122505
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide (CID 95599542) is (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide is C[C@H](C(=O)N(C)Cc1ccccc1)[S@@](=O)Cc1cccc(F)c1.
What is the InChIKey of (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide?
The InChIKey is WFHOWGHVEFEXQO-FATZIPQQSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-14(23(22)13-16-9-6-10-17(19)11-16)18(21)20(2)12-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3/t14-,23+/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide?
(2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methylpropanamide is sourced from PubChem (CID 95599542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).