2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride

C13H21ClN2O3S — CID 120591623

IUPAC2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
SMILESCCS(=O)(=O)CCNC(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-3-19(17,18)10-9-15-12(16)13(2,14)11-7-5-4-6-8-11;/h4-8H,3,9-10,14H2,1-2H3,(H,15,16);1H
InChIKeyHHNWXIFQDVTCSI-UHFFFAOYSA-N
MW320.84 g/mol
LogP0.83
Rot. Bonds6

About 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride

2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride (PubChem CID 120591623) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
PubChem CID120591623
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
SMILESCCS(=O)(=O)CCNC(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-3-19(17,18)10-9-15-12(16)13(2,14)11-7-5-4-6-8-11;/h4-8H,3,9-10,14H2,1-2H3,(H,15,16);1H
InChIKeyHHNWXIFQDVTCSI-UHFFFAOYSA-N
XLogP0.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
CID 120590792
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide
CID 120589008
2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
CID 55078632
2-amino-N-[2-[ethyl(propyl)amino]ethyl]-2-phenylpropanamide;dihydrochloride
CID 120597323
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
CID 120588992
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride
CID 120593685
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride (CID 120591623) is 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride is CCS(=O)(=O)CCNC(=O)C(C)(N)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is HHNWXIFQDVTCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-3-19(17,18)10-9-15-12(16)13(2,14)11-7-5-4-6-8-11;/h4-8H,3,9-10,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride?
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120591623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).