2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide

C19H24N2O3S — CID 120589008

IUPAC2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide
SMILESCC(N)(C(=O)NCCCS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-19(20,17-11-6-3-7-12-17)18(22)21-13-8-14-25(23,24)15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15,20H2,1H3,(H,21,22)
InChIKeyPJLONBPWGAECFU-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.98
Rot. Bonds8

About 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide

2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide (PubChem CID 120589008) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide
PubChem CID120589008
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide
SMILESCC(N)(C(=O)NCCCS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-19(20,17-11-6-3-7-12-17)18(22)21-13-8-14-25(23,24)15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15,20H2,1H3,(H,21,22)
InChIKeyPJLONBPWGAECFU-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
[2-(3-benzylsulfonylpropylamino)-2-oxoethyl] acetate
CID 166191912
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
CID 55078632
2-amino-2-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
CID 120590792
3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide
CID 119950005
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
CID 120592045
N-(3-benzylsulfonylpropyl)-2-methylbenzamide
CID 47055994
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
N-(3-benzylsulfonylpropyl)-4-phenylbenzamide
CID 55842064
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide (CID 120589008) is 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide is CC(N)(C(=O)NCCCS(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide?
The InChIKey is PJLONBPWGAECFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(20,17-11-6-3-7-12-17)18(22)21-13-8-14-25(23,24)15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide?
2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide has a molecular weight of 360.48 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide is sourced from PubChem (CID 120589008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).