N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide

C21H24N4O5S — CID 19257265

IUPACN-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1
InChIInChI=1S/C21H24N4O5S/c1-15(26)22-18-6-8-19(9-7-18)23-21(28)17-4-3-5-20(14-17)31(29,30)25-12-10-24(11-13-25)16(2)27/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyXBEWKOITWKUWLK-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.75
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide

N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 19257265) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
PubChem CID19257265
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1
InChIInChI=1S/C21H24N4O5S/c1-15(26)22-18-6-8-19(9-7-18)23-21(28)17-4-3-5-20(14-17)31(29,30)25-12-10-24(11-13-25)16(2)27/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyXBEWKOITWKUWLK-UHFFFAOYSA-N
XLogP1.75
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 19257272
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-(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
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4844842
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-ethyl-3-nitrophenyl)benzamide
CID 30839893
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide (CID 19257265) is N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide is CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is XBEWKOITWKUWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-15(26)22-18-6-8-19(9-7-18)23-21(28)17-4-3-5-20(14-17)31(29,30)25-12-10-24(11-13-25)16(2)27/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide?
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 444.51 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 19257265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).