2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide

C13H20N2O3S — CID 24699634

IUPAC2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-10(11-6-4-3-5-7-11)15-13(16)12(14)8-9-19(2,17)18/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyXIAGQFRSENRPDA-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.63
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide

2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide (PubChem CID 24699634) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
PubChem CID24699634
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-10(11-6-4-3-5-7-11)15-13(16)12(14)8-9-19(2,17)18/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyXIAGQFRSENRPDA-UHFFFAOYSA-N
XLogP0.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
CID 62987343
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249265
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
CID 107860995
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
benzyl (2S)-2-amino-4-methylsulfonylbutanoate
CID 22869170
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide (CID 24699634) is 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide is CC(NC(=O)C(N)CCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide?
The InChIKey is XIAGQFRSENRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(11-6-4-3-5-7-11)15-13(16)12(14)8-9-19(2,17)18/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide?
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide has a molecular weight of 284.38 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 24699634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).