N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide

C18H29N3O3S — CID 120725952

IUPACN-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C18H29N3O3S/c1-5-6-12-20(4)18(22)16-9-7-8-10-17(16)25(23,24)21-13-11-19-14(2)15(21)3/h7-10,14-15,19H,5-6,11-13H2,1-4H3
InChIKeyUNMTVVCNTSJGAB-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.93
Rot. Bonds6

About N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide

N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide (PubChem CID 120725952) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
PubChem CID120725952
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C18H29N3O3S/c1-5-6-12-20(4)18(22)16-9-7-8-10-17(16)25(23,24)21-13-11-19-14(2)15(21)3/h7-10,14-15,19H,5-6,11-13H2,1-4H3
InChIKeyUNMTVVCNTSJGAB-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 120665321
2-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-butyl-N-methylbenzamide;hydrochloride
CID 119971953
N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 120715260
N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 119965750
N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide
CID 100640927
methyl 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methylbenzoate
CID 120725425
2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
CID 119972472
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide
CID 120894308
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide (CID 120725952) is N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide is CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCNC(C)C1C.
What is the InChIKey of N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The InChIKey is UNMTVVCNTSJGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-5-6-12-20(4)18(22)16-9-7-8-10-17(16)25(23,24)21-13-11-19-14(2)15(21)3/h7-10,14-15,19H,5-6,11-13H2,1-4H3.
What are the key properties of N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide has a molecular weight of 367.52 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 120725952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).