2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide

C18H22N2O2S — CID 120592045

IUPAC2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
SMILESCC(N)(C(=O)NCCS(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-18(19,16-10-6-3-7-11-16)17(21)20-12-13-23(22)14-15-8-4-2-5-9-15/h2-11H,12-14,19H2,1H3,(H,20,21)
InChIKeyXFSXKYBKAFMZOG-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.93
Rot. Bonds7

About 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide

2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide (PubChem CID 120592045) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
PubChem CID120592045
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
SMILESCC(N)(C(=O)NCCS(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-18(19,16-10-6-3-7-11-16)17(21)20-12-13-23(22)14-15-8-4-2-5-9-15/h2-11H,12-14,19H2,1H3,(H,20,21)
InChIKeyXFSXKYBKAFMZOG-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide
CID 119321854
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
N-[2-[(R)-benzylsulfinyl]ethyl]-3,3,3-trifluoropropanamide
CID 97082580
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide
CID 120589008
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
CID 55078632
N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide
CID 95619655
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
CID 120588992

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide (CID 120592045) is 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide is CC(N)(C(=O)NCCS(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide?
The InChIKey is XFSXKYBKAFMZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-18(19,16-10-6-3-7-11-16)17(21)20-12-13-23(22)14-15-8-4-2-5-9-15/h2-11H,12-14,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide?
2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide has a molecular weight of 330.45 g/mol, XLogP of 1.93, 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-benzylsulfinylethyl)-2-phenylpropanamide is sourced from PubChem (CID 120592045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).