N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride

C18H24ClN3O3S — CID 119529188

IUPACN-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-20-25(23,24)16-10-7-14(8-11-16)9-12-18(22)21-13-17(19)15-5-3-2-4-6-15;/h2-8,10-11,17,20H,9,12-13,19H2,1H3,(H,21,22);1H
InChIKeyWTOBSXXMEOKCSB-UHFFFAOYSA-N
MW397.93 g/mol
LogP1.77
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride

N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119529188) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119529188
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-20-25(23,24)16-10-7-14(8-11-16)9-12-18(22)21-13-17(19)15-5-3-2-4-6-15;/h2-8,10-11,17,20H,9,12-13,19H2,1H3,(H,21,22);1H
InChIKeyWTOBSXXMEOKCSB-UHFFFAOYSA-N
XLogP1.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;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

N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529030
N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
CID 119527817
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
CID 51332572
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119629648
[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55375109
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-3-phenylpropanamide
CID 9184966
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
CID 119525264
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119529188) is N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride is CNS(=O)(=O)c1ccc(CCC(=O)NCC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is WTOBSXXMEOKCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-20-25(23,24)16-10-7-14(8-11-16)9-12-18(22)21-13-17(19)15-5-3-2-4-6-15;/h2-8,10-11,17,20H,9,12-13,19H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119529188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).