N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride

C19H26ClN3O4S — CID 119439653

IUPACN-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-3-20-14-16-6-4-5-7-18(16)22-19(23)15-8-10-17(11-9-15)27(24,25)21-12-13-26-2;/h4-11,20-21H,3,12-14H2,1-2H3,(H,22,23);1H
InChIKeyHXSVIRVSZCOWGE-UHFFFAOYSA-N
MW427.95 g/mol
LogP2.39
Rot. Bonds10

About N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119439653) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
PubChem CID119439653
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-3-20-14-16-6-4-5-7-18(16)22-19(23)15-8-10-17(11-9-15)27(24,25)21-12-13-26-2;/h4-11,20-21H,3,12-14H2,1-2H3,(H,22,23);1H
InChIKeyHXSVIRVSZCOWGE-UHFFFAOYSA-N
XLogP2.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 52.39
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

N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119439947
N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
CID 109058046
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119440173
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride (CID 119439653) is N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is HXSVIRVSZCOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-3-20-14-16-6-4-5-7-18(16)22-19(23)15-8-10-17(11-9-15)27(24,25)21-12-13-26-2;/h4-11,20-21H,3,12-14H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.39, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119439653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).