2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide

C13H20N2O4S — CID 81433265

IUPAC2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C13H20N2O4S/c1-4-7-13(2,14)12(17)15-10-8-9(20(3,18)19)5-6-11(10)16/h5-6,8,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyZMLQGTJVSPFDNJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.25
Rot. Bonds5

About 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide

2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide (PubChem CID 81433265) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide
PubChem CID81433265
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C13H20N2O4S/c1-4-7-13(2,14)12(17)15-10-8-9(20(3,18)19)5-6-11(10)16/h5-6,8,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyZMLQGTJVSPFDNJ-UHFFFAOYSA-N
XLogP1.25
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 60846841
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
CID 103950240
2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide
CID 102695178
4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81433885
methyl 3-[(2-amino-2-methylpentanoyl)amino]-5-methylsulfonylbenzoate
CID 119814799
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide
CID 81434078
1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 81433983
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 119685767

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide (CID 81433265) is 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O.
What is the InChIKey of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide?
The InChIKey is ZMLQGTJVSPFDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-7-13(2,14)12(17)15-10-8-9(20(3,18)19)5-6-11(10)16/h5-6,8,16H,4,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide?
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide has a molecular weight of 300.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide is sourced from PubChem (CID 81433265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).