N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride

C19H26ClN3O3S — CID 119506523

IUPACN-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-4-20-10-11-21-19(23)16-9-8-15(3)18(13-16)26(24,25)22-17-7-5-6-14(2)12-17;/h5-9,12-13,20,22H,4,10-11H2,1-3H3,(H,21,23);1H
InChIKeyJSEQKUSEEYGVTP-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.87
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119506523) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119506523
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-4-20-10-11-21-19(23)16-9-8-15(3)18(13-16)26(24,25)22-17-7-5-6-14(2)12-17;/h5-9,12-13,20,22H,4,10-11H2,1-3H3,(H,21,23);1H
InChIKeyJSEQKUSEEYGVTP-UHFFFAOYSA-N
XLogP2.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393533
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3249145
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132947921
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 17496950

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride (CID 119506523) is N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride is CCNCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is JSEQKUSEEYGVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-4-20-10-11-21-19(23)16-9-8-15(3)18(13-16)26(24,25)22-17-7-5-6-14(2)12-17;/h5-9,12-13,20,22H,4,10-11H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119506523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).