N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

C20H33N3O3S — CID 99968871

IUPACN-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C20H33N3O3S/c1-14(2)19(15(3)4)21-20(24)18-13-17(8-7-16(18)5)27(25,26)23-11-9-22(6)10-12-23/h7-8,13-15,19H,9-12H2,1-6H3,(H,21,24)
InChIKeyHVVQPQFGZCJNFK-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.34
Rot. Bonds6

About N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 99968871) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID99968871
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C20H33N3O3S/c1-14(2)19(15(3)4)21-20(24)18-13-17(8-7-16(18)5)27(25,26)23-11-9-22(6)10-12-23/h7-8,13-15,19H,9-12H2,1-6H3,(H,21,24)
InChIKeyHVVQPQFGZCJNFK-UHFFFAOYSA-N
XLogP2.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969032
2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99968948
2-methyl-N-[1-(4-methylphenyl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875457
2-methyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969062
2-chloro-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969458
N-(3-chloro-4-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968879
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 132674881
N-(2,4-dimethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968828
2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 99968936
N-(4-chloro-2-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968876
N-(2,6-diethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968900
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281826

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 99968871) is N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is HVVQPQFGZCJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-14(2)19(15(3)4)21-20(24)18-13-17(8-7-16(18)5)27(25,26)23-11-9-22(6)10-12-23/h7-8,13-15,19H,9-12H2,1-6H3,(H,21,24).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 395.57 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 99968871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).