3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride

C13H22ClN3O4S — CID 119296315

IUPAC3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)CCN)cc1.Cl
InChIInChI=1S/C13H21N3O4S.ClH/c1-20-9-8-16-21(18,19)12-4-2-11(3-5-12)10-15-13(17)6-7-14;/h2-5,16H,6-10,14H2,1H3,(H,15,17);1H
InChIKeyJDVGEEQQCQCKKY-UHFFFAOYSA-N
MW351.86 g/mol
LogP-0.00
Rot. Bonds9

About 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride

3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119296315) has the molecular formula C13H22ClN3O4S and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119296315
Molecular FormulaC13H22ClN3O4S
Molecular Weight351.86 g/mol
Exact Mass351.10
IUPAC Name3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)CCN)cc1.Cl
InChIInChI=1S/C13H21N3O4S.ClH/c1-20-9-8-16-21(18,19)12-4-2-11(3-5-12)10-15-13(17)6-7-14;/h2-5,16H,6-10,14H2,1H3,(H,15,17);1H
InChIKeyJDVGEEQQCQCKKY-UHFFFAOYSA-N
XLogP-0.00
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]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

3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 119324497
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 108736019
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride (CID 119296315) is 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride is COCCNS(=O)(=O)c1ccc(CNC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is JDVGEEQQCQCKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S.ClH/c1-20-9-8-16-21(18,19)12-4-2-11(3-5-12)10-15-13(17)6-7-14;/h2-5,16H,6-10,14H2,1H3,(H,15,17);1H.
What are the key properties of 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride?
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of -0.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119296315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).