5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C18H24ClN3O4S — CID 119502213

IUPAC5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-13-8-9-14(12-15(13)18(22)20-11-10-19-2)26(23,24)21-16-6-4-5-7-17(16)25-3;/h4-9,12,19,21H,10-11H2,1-3H3,(H,20,22);1H
InChIKeyRNUSOIBMBSENLE-UHFFFAOYSA-N
MW413.93 g/mol
LogP2.18
Rot. Bonds8

About 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119502213) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119502213
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC Name5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-13-8-9-14(12-15(13)18(22)20-11-10-19-2)26(23,24)21-16-6-4-5-7-17(16)25-3;/h4-9,12,19,21H,10-11H2,1-3H3,(H,20,22);1H
InChIKeyRNUSOIBMBSENLE-UHFFFAOYSA-N
XLogP2.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 52.18
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

5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119502214
5-[(2-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 4781193
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25331214
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 9318828
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432581

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119502213) is 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C.Cl.
What is the InChIKey of 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is RNUSOIBMBSENLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c1-13-8-9-14(12-15(13)18(22)20-11-10-19-2)26(23,24)21-16-6-4-5-7-17(16)25-3;/h4-9,12,19,21H,10-11H2,1-3H3,(H,20,22);1H.
What are the key properties of 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119502213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).