3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride

C18H24ClN3O3S — CID 119951139

IUPAC3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)CC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13(15-9-6-10-16(11-15)25(23,24)20-2)21-18(22)12-17(19)14-7-4-3-5-8-14;/h3-11,13,17,20H,12,19H2,1-2H3,(H,21,22);1H
InChIKeyIHQOZXHUBKUDSM-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.28
Rot. Bonds7

About 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951139) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119951139
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)CC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13(15-9-6-10-16(11-15)25(23,24)20-2)21-18(22)12-17(19)14-7-4-3-5-8-14;/h3-11,13,17,20H,12,19H2,1-2H3,(H,21,22);1H
InChIKeyIHQOZXHUBKUDSM-UHFFFAOYSA-N
XLogP2.28
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-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

3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119771237
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
CID 119951982
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830
methyl (2R)-2-[[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615833
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pentanamide;hydrochloride
CID 119771247
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
1-(2-methoxyethyl)-3-[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]urea
CID 95186671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride (CID 119951139) is 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride is CNS(=O)(=O)c1cccc(C(C)NC(=O)CC(N)c2ccccc2)c1.Cl.
What is the InChIKey of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is IHQOZXHUBKUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-13(15-9-6-10-16(11-15)25(23,24)20-2)21-18(22)12-17(19)14-7-4-3-5-8-14;/h3-11,13,17,20H,12,19H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).