3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

C24H31N5O4S — CID 43024824

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C24H31N5O4S/c1-19(30)27-14-16-29(17-15-27)34(32,33)21-7-5-6-20(18-21)24(31)25-22-8-3-4-9-23(22)28-12-10-26(2)11-13-28/h3-9,18H,10-17H2,1-2H3,(H,25,31)
InChIKeyPNHVRDFDXGSWOF-UHFFFAOYSA-N
MW485.61 g/mol
LogP1.54
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 43024824) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID43024824
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C24H31N5O4S/c1-19(30)27-14-16-29(17-15-27)34(32,33)21-7-5-6-20(18-21)24(31)25-22-8-3-4-9-23(22)28-12-10-26(2)11-13-28/h3-9,18H,10-17H2,1-2H3,(H,25,31)
InChIKeyPNHVRDFDXGSWOF-UHFFFAOYSA-N
XLogP1.54
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 57327123
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55612909
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
N-(3-chloro-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31507527
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 43024824) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCN(C)CC3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is PNHVRDFDXGSWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-19(30)27-14-16-29(17-15-27)34(32,33)21-7-5-6-20(18-21)24(31)25-22-8-3-4-9-23(22)28-12-10-26(2)11-13-28/h3-9,18H,10-17H2,1-2H3,(H,25,31).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 485.61 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 43024824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).