3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide

C20H23N3O4S — CID 19257226

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1
InChIInChI=1S/C20H23N3O4S/c1-15-6-8-18(9-7-15)21-20(25)17-4-3-5-19(14-17)28(26,27)23-12-10-22(11-13-23)16(2)24/h3-9,14H,10-13H2,1-2H3,(H,21,25)
InChIKeyHIZZPDHDTZTOHZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.10
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide (PubChem CID 19257226) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
PubChem CID19257226
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1
InChIInChI=1S/C20H23N3O4S/c1-15-6-8-18(9-7-15)21-20(25)17-4-3-5-19(14-17)28(26,27)23-12-10-22(11-13-23)16(2)24/h3-9,14H,10-13H2,1-2H3,(H,21,25)
InChIKeyHIZZPDHDTZTOHZ-UHFFFAOYSA-N
XLogP2.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 19257272
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 109064326
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide
CID 19257247
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26499246
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4844842
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
CID 19257253
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26687870
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide
CID 18229319
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide
CID 9179296
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-ethyl-3-nitrophenyl)benzamide
CID 30839893

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide (CID 19257226) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide?
The InChIKey is HIZZPDHDTZTOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15-6-8-18(9-7-15)21-20(25)17-4-3-5-19(14-17)28(26,27)23-12-10-22(11-13-23)16(2)24/h3-9,14H,10-13H2,1-2H3,(H,21,25).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 19257226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).