2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide

C13H20N2O3S — CID 64642432

IUPAC2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide
SMILESCC(CS(C)(=O)=O)NC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-10(9-19(3,17)18)15-12(16)13(2,14)11-7-5-4-6-8-11/h4-8,10H,9,14H2,1-3H3,(H,15,16)
InChIKeyODRYNKWPCOVYOC-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.41
Rot. Bonds5

About 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide

2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide (PubChem CID 64642432) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide
PubChem CID64642432
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide
SMILESCC(CS(C)(=O)=O)NC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-10(9-19(3,17)18)15-12(16)13(2,14)11-7-5-4-6-8-11/h4-8,10H,9,14H2,1-3H3,(H,15,16)
InChIKeyODRYNKWPCOVYOC-UHFFFAOYSA-N
XLogP0.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
CID 62489019
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylpropanamide
CID 120589583
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120592271
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
2-amino-2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 120589300
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide (CID 64642432) is 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide is CC(CS(C)(=O)=O)NC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide?
The InChIKey is ODRYNKWPCOVYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(9-19(3,17)18)15-12(16)13(2,14)11-7-5-4-6-8-11/h4-8,10H,9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide?
2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 64642432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).