3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride

C15H25ClN2O3S — CID 119952059

IUPAC3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)(CCS(C)(=O)=O)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-15(2,9-10-21(3,19)20)17-14(18)11-13(16)12-7-5-4-6-8-12;/h4-8,13H,9-11,16H2,1-3H3,(H,17,18);1H
InChIKeyFHSIXKGGESHXFH-UHFFFAOYSA-N
MW348.90 g/mol
LogP1.83
Rot. Bonds7

About 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride

3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119952059) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119952059
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC Name3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)(CCS(C)(=O)=O)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-15(2,9-10-21(3,19)20)17-14(18)11-13(16)12-7-5-4-6-8-12;/h4-8,13H,9-11,16H2,1-3H3,(H,17,18);1H
InChIKeyFHSIXKGGESHXFH-UHFFFAOYSA-N
XLogP1.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954
methanesulfonic acid;methyl 3-amino-3-phenylpropanoate
CID 86623650
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951175
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride (CID 119952059) is 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride is CC(C)(CCS(C)(=O)=O)NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is FHSIXKGGESHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-15(2,9-10-21(3,19)20)17-14(18)11-13(16)12-7-5-4-6-8-12;/h4-8,13H,9-11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).