2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide

C19H24N2O3S — CID 119956068

IUPAC2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-25(23,24)13-12-18(20)19(22)21-14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-14,20H2,1H3,(H,21,22)
InChIKeyYQGXAGJGSBDJHV-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.70
Rot. Bonds8

About 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide

2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide (PubChem CID 119956068) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
PubChem CID119956068
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-25(23,24)13-12-18(20)19(22)21-14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-14,20H2,1H3,(H,21,22)
InChIKeyYQGXAGJGSBDJHV-UHFFFAOYSA-N
XLogP1.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
CID 62987343
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide
CID 145294466
2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957521
2-amino-4-methylsulfonyl-N-[[4-(phenoxymethyl)phenyl]methyl]butanamide
CID 119956525
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
CID 66168706
2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
CID 119956607
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
benzyl (2S)-2-amino-4-methylsulfonylbutanoate
CID 22869170
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide (CID 119956068) is 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide?
The InChIKey is YQGXAGJGSBDJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-25(23,24)13-12-18(20)19(22)21-14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-14,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide?
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide has a molecular weight of 360.48 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 119956068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).