N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide

C16H27N3O3S — CID 120824520

IUPACN-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCC(C)NC
InChIInChI=1S/C16H27N3O3S/c1-5-6-11-19(4)16(20)14-9-7-8-10-15(14)23(21,22)18-12-13(2)17-3/h7-10,13,17-18H,5-6,11-12H2,1-4H3
InChIKeyWLKMARRMLKOTDH-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.44
Rot. Bonds9

About N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide

N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide (PubChem CID 120824520) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
PubChem CID120824520
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCC(C)NC
InChIInChI=1S/C16H27N3O3S/c1-5-6-11-19(4)16(20)14-9-7-8-10-15(14)23(21,22)18-12-13(2)17-3/h7-10,13,17-18H,5-6,11-12H2,1-4H3
InChIKeyWLKMARRMLKOTDH-UHFFFAOYSA-N
XLogP1.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
CID 119972472
N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 78796282
N-butyl-N-methyl-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
CID 58924138
2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 119992074
5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 167957313
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298
N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
CID 120825515
N-methyl-2-(methylamino)-N-pentylbenzamide
CID 61375902
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 120715260
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 119965750

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide?
The IUPAC name of N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide (CID 120824520) is N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide.
What is the SMILES notation for N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide?
The canonical SMILES for N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide is CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCC(C)NC.
What is the InChIKey of N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide?
The InChIKey is WLKMARRMLKOTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-5-6-11-19(4)16(20)14-9-7-8-10-15(14)23(21,22)18-12-13(2)17-3/h7-10,13,17-18H,5-6,11-12H2,1-4H3.
What are the key properties of N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide?
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide has a molecular weight of 341.48 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide is sourced from PubChem (CID 120824520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).