(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide

C13H19FN2O3S — CID 107144106

IUPAC(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-3-4-5-11(15)13(17)16-12-8-9(20(2,18)19)6-7-10(12)14/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyHTUSZHKDRUABQM-NSHDSACASA-N
MW302.37 g/mol
LogP1.69
Rot. Bonds6

About (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide

(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide (PubChem CID 107144106) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
PubChem CID107144106
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-3-4-5-11(15)13(17)16-12-8-9(20(2,18)19)6-7-10(12)14/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyHTUSZHKDRUABQM-NSHDSACASA-N
XLogP1.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
CID 103950240
2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide
CID 43708238
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803
2-fluoro-N-heptan-2-yl-5-methylsulfonylaniline
CID 43717574
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide
CID 81422440
2-fluoro-5-methylsulfonyl-N-nonan-2-ylaniline
CID 43717653
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
4-amino-5-(2-hydroxy-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 81423030

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide (CID 107144106) is (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide?
The InChIKey is HTUSZHKDRUABQM-NSHDSACASA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-4-5-11(15)13(17)16-12-8-9(20(2,18)19)6-7-10(12)14/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide?
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide has a molecular weight of 302.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide is sourced from PubChem (CID 107144106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).