2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide

C13H20N2OS — CID 113264228

IUPAC2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
SMILESCSC(C)(C)CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H20N2OS/c1-13(2,17-3)9-15-12(16)11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyDDAAESXUOIOKDB-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.94
Rot. Bonds5

About 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide

2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide (PubChem CID 113264228) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
PubChem CID113264228
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
SMILESCSC(C)(C)CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H20N2OS/c1-13(2,17-3)9-15-12(16)11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyDDAAESXUOIOKDB-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
CID 103797832
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide
CID 119345468
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide;hydrochloride
CID 119345467
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide
CID 119308090
(2R)-2-amino-N-(3-methoxy-2,2-dimethylpropyl)-2-phenylacetamide
CID 56861248
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-N-(4-hydroxy-2,2-dimethylpentyl)-2-phenylacetamide;hydrochloride
CID 119334689
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-phenylacetamide
CID 106148425

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide (CID 113264228) is 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide is CSC(C)(C)CNC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide?
The InChIKey is DDAAESXUOIOKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,17-3)9-15-12(16)11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide?
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide is sourced from PubChem (CID 113264228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).