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

C14H24ClN3O4S — CID 119736086

IUPAC3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C14H23N3O4S.ClH/c1-11(15)9-14(18)16-10-12-3-5-13(6-4-12)22(19,20)17-7-8-21-2;/h3-6,11,17H,7-10,15H2,1-2H3,(H,16,18);1H
InChIKeyRHYBFMKNQLZCLU-UHFFFAOYSA-N
MW365.88 g/mol
LogP0.39
Rot. Bonds9

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

3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119736086) has the molecular formula C14H24ClN3O4S and a molecular weight of 365.88 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
PubChem CID119736086
Molecular FormulaC14H24ClN3O4S
Molecular Weight365.88 g/mol
Exact Mass365.12
IUPAC Name3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C14H23N3O4S.ClH/c1-11(15)9-14(18)16-10-12-3-5-13(6-4-12)22(19,20)17-7-8-21-2;/h3-6,11,17H,7-10,15H2,1-2H3,(H,16,18);1H
InChIKeyRHYBFMKNQLZCLU-UHFFFAOYSA-N
XLogP0.39
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 50.39
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]butanamide;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

(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
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]naphthalene-1-carboxamide
CID 108759091
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119972659
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 108736019
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119296317
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride (CID 119736086) is 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride is COCCNS(=O)(=O)c1ccc(CNC(=O)CC(C)N)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is RHYBFMKNQLZCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S.ClH/c1-11(15)9-14(18)16-10-12-3-5-13(6-4-12)22(19,20)17-7-8-21-2;/h3-6,11,17H,7-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride?
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 0.39, 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]butanamide;hydrochloride is sourced from PubChem (CID 119736086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).