N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride

C18H24ClN3O4S — CID 119408674

IUPACN-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCN)cc1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-21(16-6-3-4-7-17(16)25-2)26(23,24)15-10-8-14(9-11-15)18(22)20-13-5-12-19;/h3-4,6-11H,5,12-13,19H2,1-2H3,(H,20,22);1H
InChIKeyJGSUTBSZEYGACY-UHFFFAOYSA-N
MW413.93 g/mol
LogP2.02
Rot. Bonds8

About N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride

N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride (PubChem CID 119408674) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
PubChem CID119408674
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC NameN-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCN)cc1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-21(16-6-3-4-7-17(16)25-2)26(23,24)15-10-8-14(9-11-15)18(22)20-13-5-12-19;/h3-4,6-11H,5,12-13,19H2,1-2H3,(H,20,22);1H
InChIKeyJGSUTBSZEYGACY-UHFFFAOYSA-N
XLogP2.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119433863
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328
N-[4-(4-fluorophenoxy)butyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55446636
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27298108
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 4787817
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 24513051
ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate
CID 55969332
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 3254854

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride (CID 119408674) is N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCN)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride?
The InChIKey is JGSUTBSZEYGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c1-21(16-6-3-4-7-17(16)25-2)26(23,24)15-10-8-14(9-11-15)18(22)20-13-5-12-19;/h3-4,6-11H,5,12-13,19H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride?
N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119408674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).