(2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide

C16H20N2O3S — CID 122490794

IUPAC(2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O3S/c1-11(2)9-15(17)16(19)18-22(20,21)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyYLOJPCMXCBVFGR-HNNXBMFYSA-N
MW320.41 g/mol
LogP2.02
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide

(2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide (PubChem CID 122490794) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide
PubChem CID122490794
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O3S/c1-11(2)9-15(17)16(19)18-22(20,21)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyYLOJPCMXCBVFGR-HNNXBMFYSA-N
XLogP2.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide (CID 122490794) is (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide?
The InChIKey is YLOJPCMXCBVFGR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)9-15(17)16(19)18-22(20,21)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide?
(2S)-2-amino-4-methyl-N-naphthalen-2-ylsulfonylpentanamide has a molecular weight of 320.41 g/mol, XLogP of 2.02, 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-naphthalen-2-ylsulfonylpentanamide is sourced from PubChem (CID 122490794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).