(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide

C13H20N2O3S — CID 107568455

IUPAC(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-4-5-11(14)13(16)15-12-8-10(19(3,17)18)7-6-9(12)2/h6-8,11H,4-5,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyGPRYJFSIGLUQHO-NSHDSACASA-N
MW284.38 g/mol
LogP1.46
Rot. Bonds5

About (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide

(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide (PubChem CID 107568455) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
PubChem CID107568455
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-4-5-11(14)13(16)15-12-8-10(19(3,17)18)7-6-9(12)2/h6-8,11H,4-5,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyGPRYJFSIGLUQHO-NSHDSACASA-N
XLogP1.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
CID 103950240
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
methyl 3-(2-aminopentanoylamino)-4-methylbenzoate;hydrochloride
CID 119265257
4-amino-5-(2-hydroxy-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 81423030
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide (CID 107568455) is (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The InChIKey is GPRYJFSIGLUQHO-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-5-11(14)13(16)15-12-8-10(19(3,17)18)7-6-9(12)2/h6-8,11H,4-5,14H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide has a molecular weight of 284.38 g/mol, XLogP of 1.46, 5 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-methyl-5-methylsulfonylphenyl)pentanamide is sourced from PubChem (CID 107568455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).