3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

C23H32N4O3S — CID 56518291

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C23H32N4O3S/c1-17-14-20(15-22(18(17)2)31(29,30)25(3)4)23(28)24-16-19-8-6-7-9-21(19)27-12-10-26(5)11-13-27/h6-9,14-15H,10-13,16H2,1-5H3,(H,24,28)
InChIKeyQETJHZVFOZYDQE-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.24
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 56518291) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID56518291
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C23H32N4O3S/c1-17-14-20(15-22(18(17)2)31(29,30)25(3)4)23(28)24-16-19-8-6-7-9-21(19)27-12-10-26(5)11-13-27/h6-9,14-15H,10-13,16H2,1-5H3,(H,24,28)
InChIKeyQETJHZVFOZYDQE-UHFFFAOYSA-N
XLogP2.24
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide with MolForge

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Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46478069
3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55980552
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043512
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 51191763
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 56523344
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
N,N,2,3-tetramethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 46816018
1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 56517124
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518298
4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518367

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (CID 56518291) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is Cc1cc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is QETJHZVFOZYDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-17-14-20(15-22(18(17)2)31(29,30)25(3)4)23(28)24-16-19-8-6-7-9-21(19)27-12-10-26(5)11-13-27/h6-9,14-15H,10-13,16H2,1-5H3,(H,24,28).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 56518291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).