2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide

C13H22N2O2S — CID 113279319

IUPAC2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CC(C)(O)CNC(=O)C(N)c1cccs1
InChIInChI=1S/C13H22N2O2S/c1-9(2)7-13(3,17)8-15-12(16)11(14)10-5-4-6-18-10/h4-6,9,11,17H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyZLRNRDMGVYEHKW-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.66
Rot. Bonds6

About 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide

2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide (PubChem CID 113279319) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide
PubChem CID113279319
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CC(C)(O)CNC(=O)C(N)c1cccs1
InChIInChI=1S/C13H22N2O2S/c1-9(2)7-13(3,17)8-15-12(16)11(14)10-5-4-6-18-10/h4-6,9,11,17H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyZLRNRDMGVYEHKW-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide 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

3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid
CID 113308017
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
2-amino-N-(2-methoxypropyl)-2-thiophen-2-ylacetamide
CID 102695079
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
CID 66174479
2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide
CID 106161199
2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 115287113
2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
CID 115287214

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide (CID 113279319) is 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide is CC(C)CC(C)(O)CNC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZLRNRDMGVYEHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)7-13(3,17)8-15-12(16)11(14)10-5-4-6-18-10/h4-6,9,11,17H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide?
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide has a molecular weight of 270.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113279319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).