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

C14H22N2O3S — CID 60846841

IUPAC2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C14H22N2O3S/c1-5-8-14(3,15)13(17)16-12-9-11(20(4,18)19)7-6-10(12)2/h6-7,9H,5,8,15H2,1-4H3,(H,16,17)
InChIKeyCVLAZGLGXOZEGC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.85
Rot. Bonds5

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

2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide (PubChem CID 60846841) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
PubChem CID60846841
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C14H22N2O3S/c1-5-8-14(3,15)13(17)16-12-9-11(20(4,18)19)7-6-10(12)2/h6-7,9H,5,8,15H2,1-4H3,(H,16,17)
InChIKeyCVLAZGLGXOZEGC-UHFFFAOYSA-N
XLogP1.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide
CID 81433265
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride
CID 119711744
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
3-[(2-amino-2-methylpentanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726148
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide (CID 60846841) is 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide is CCCC(C)(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The InChIKey is CVLAZGLGXOZEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-8-14(3,15)13(17)16-12-9-11(20(4,18)19)7-6-10(12)2/h6-7,9H,5,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide has a molecular weight of 298.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide is sourced from PubChem (CID 60846841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).