4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide

C23H31N3O3S — CID 90200433

IUPAC4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(=O)N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)CC(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O3S/c1-19(2)17-26(18-21-7-5-4-6-8-21)30(28,29)23-11-9-22(10-12-23)25-15-13-24(14-16-25)20(3)27/h4-12,19H,13-18H2,1-3H3
InChIKeyHREGAPCTZYCMHL-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.20
Rot. Bonds7

About 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide

4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 90200433) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID90200433
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(=O)N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)CC(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O3S/c1-19(2)17-26(18-21-7-5-4-6-8-21)30(28,29)23-11-9-22(10-12-23)25-15-13-24(14-16-25)20(3)27/h4-12,19H,13-18H2,1-3H3
InChIKeyHREGAPCTZYCMHL-UHFFFAOYSA-N
XLogP3.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thaumatin
CID 1151816
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide (CID 90200433) is 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide is CC(=O)N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)CC(C)C)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HREGAPCTZYCMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-19(2)17-26(18-21-7-5-4-6-8-21)30(28,29)23-11-9-22(10-12-23)25-15-13-24(14-16-25)20(3)27/h4-12,19H,13-18H2,1-3H3.
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide?
4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 429.59 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 90200433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).