2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide

C15H24N2OS — CID 103797832

IUPAC2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
SMILESCCC(CC)(CNC(=O)C(N)c1ccccc1)SC
InChIInChI=1S/C15H24N2OS/c1-4-15(5-2,19-3)11-17-14(18)13(16)12-9-7-6-8-10-12/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18)
InChIKeyXJVWRSNIYGNOCQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.72
Rot. Bonds7

About 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide (PubChem CID 103797832) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
PubChem CID103797832
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
SMILESCCC(CC)(CNC(=O)C(N)c1ccccc1)SC
InChIInChI=1S/C15H24N2OS/c1-4-15(5-2,19-3)11-17-14(18)13(16)12-9-7-6-8-10-12/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18)
InChIKeyXJVWRSNIYGNOCQ-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
CID 113264228
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide
CID 119345468
3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
CID 103812535
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide;hydrochloride
CID 119345467
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-N-(4-hydroxy-2,2-dimethylpentyl)-2-phenylacetamide;hydrochloride
CID 119334689
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide (CID 103797832) is 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide is CCC(CC)(CNC(=O)C(N)c1ccccc1)SC.
What is the InChIKey of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide?
The InChIKey is XJVWRSNIYGNOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-15(5-2,19-3)11-17-14(18)13(16)12-9-7-6-8-10-12/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide?
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide has a molecular weight of 280.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide is sourced from PubChem (CID 103797832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).