2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide

C12H19N3O3S — CID 55078632

IUPAC2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)NCCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H19N3O3S/c1-12(13,10-6-4-3-5-7-10)11(16)14-8-9-15-19(2,17)18/h3-7,15H,8-9,13H2,1-2H3,(H,14,16)
InChIKeyOSRXBBQGFFSADS-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.47
Rot. Bonds6

About 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide

2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide (PubChem CID 55078632) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
PubChem CID55078632
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)NCCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H19N3O3S/c1-12(13,10-6-4-3-5-7-10)11(16)14-8-9-15-19(2,17)18/h3-7,15H,8-9,13H2,1-2H3,(H,14,16)
InChIKeyOSRXBBQGFFSADS-UHFFFAOYSA-N
XLogP-0.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-2-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
CID 120590792
2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide
CID 120589008
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
CID 120588992
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-phenylpropanamide
CID 79401075
2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
CID 120592045

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide (CID 55078632) is 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide is CC(N)(C(=O)NCCNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide?
The InChIKey is OSRXBBQGFFSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(13,10-6-4-3-5-7-10)11(16)14-8-9-15-19(2,17)18/h3-7,15H,8-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide?
2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide has a molecular weight of 285.37 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 55078632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).