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

C15H26ClN3O4S — CID 120500865

IUPAC3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1cccc(CNC(=O)C(C)C(C)N)c1.Cl
InChIInChI=1S/C15H25N3O4S.ClH/c1-11(12(2)16)15(19)17-10-13-5-4-6-14(9-13)23(20,21)18-7-8-22-3;/h4-6,9,11-12,18H,7-8,10,16H2,1-3H3,(H,17,19);1H
InChIKeyPJLFSYUCKHIBEY-UHFFFAOYSA-N
MW379.91 g/mol
LogP0.63
Rot. Bonds9

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

3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride (PubChem CID 120500865) has the molecular formula C15H26ClN3O4S and a molecular weight of 379.91 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride
PubChem CID120500865
Molecular FormulaC15H26ClN3O4S
Molecular Weight379.91 g/mol
Exact Mass379.13
IUPAC Name3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1cccc(CNC(=O)C(C)C(C)N)c1.Cl
InChIInChI=1S/C15H25N3O4S.ClH/c1-11(12(2)16)15(19)17-10-13-5-4-6-14(9-13)23(20,21)18-7-8-22-3;/h4-6,9,11-12,18H,7-8,10,16H2,1-3H3,(H,17,19);1H
InChIKeyPJLFSYUCKHIBEY-UHFFFAOYSA-N
XLogP0.63
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 119324497
3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 120610760
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 55749562
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 111427144
4-[[[3-(2-methoxyethylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122031524
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111829570
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111828316
1-[2-(3-chlorophenyl)ethyl]-3-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111831142

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride (CID 120500865) is 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride is COCCNS(=O)(=O)c1cccc(CNC(=O)C(C)C(C)N)c1.Cl.
What is the InChIKey of 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride?
The InChIKey is PJLFSYUCKHIBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S.ClH/c1-11(12(2)16)15(19)17-10-13-5-4-6-14(9-13)23(20,21)18-7-8-22-3;/h4-6,9,11-12,18H,7-8,10,16H2,1-3H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 0.63, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120500865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).