(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide

C13H20N2O3S — CID 61148804

IUPAC(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(2)8-12(14)13(16)15-10-4-6-11(7-5-10)19(3,17)18/h4-7,9,12H,8,14H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyNNYZHIICBPSWAS-LBPRGKRZSA-N
MW284.38 g/mol
LogP1.40
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide

(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide (PubChem CID 61148804) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
PubChem CID61148804
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(2)8-12(14)13(16)15-10-4-6-11(7-5-10)19(3,17)18/h4-7,9,12H,8,14H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyNNYZHIICBPSWAS-LBPRGKRZSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride
CID 67615409
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide
CID 163140404
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide (CID 61148804) is (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide?
The InChIKey is NNYZHIICBPSWAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)8-12(14)13(16)15-10-4-6-11(7-5-10)19(3,17)18/h4-7,9,12H,8,14H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide?
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide has a molecular weight of 284.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide is sourced from PubChem (CID 61148804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).