3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide

C15H26N4O4S — CID 120501906

IUPAC3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide
SMILESCNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)C(C)C(C)N)c1
InChIInChI=1S/C15H26N4O4S/c1-10(11(2)16)15(20)19-14-9-12(24(21,22)17-3)5-6-13(14)18-7-8-23-4/h5-6,9-11,17-18H,7-8,16H2,1-4H3,(H,19,20)
InChIKeyTVELOHOSHXOTGX-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.57
Rot. Bonds9

About 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide

3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide (PubChem CID 120501906) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide
PubChem CID120501906
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide
SMILESCNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)C(C)C(C)N)c1
InChIInChI=1S/C15H26N4O4S/c1-10(11(2)16)15(20)19-14-9-12(24(21,22)17-3)5-6-13(14)18-7-8-23-4/h5-6,9-11,17-18H,7-8,16H2,1-4H3,(H,19,20)
InChIKeyTVELOHOSHXOTGX-UHFFFAOYSA-N
XLogP0.57
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide 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

4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride
CID 119339072
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide
CID 71849298
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 62498772
3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
CID 116501144
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide (CID 120501906) is 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide is CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)C(C)C(C)N)c1.
What is the InChIKey of 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide?
The InChIKey is TVELOHOSHXOTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-10(11(2)16)15(20)19-14-9-12(24(21,22)17-3)5-6-13(14)18-7-8-23-4/h5-6,9-11,17-18H,7-8,16H2,1-4H3,(H,19,20).
What are the key properties of 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide?
3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide has a molecular weight of 358.46 g/mol, XLogP of 0.57, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 120501906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).