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

C20H23N3O4S — CID 9179296

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C20H23N3O4S/c1-15-4-3-5-18(14-15)21-20(25)17-6-8-19(9-7-17)28(26,27)23-12-10-22(11-13-23)16(2)24/h3-9,14H,10-13H2,1-2H3,(H,21,25)
InChIKeyJKSZEBVTFRXXLU-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.10
Rot. Bonds4

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

4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide (PubChem CID 9179296) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide
PubChem CID9179296
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C20H23N3O4S/c1-15-4-3-5-18(14-15)21-20(25)17-6-8-19(9-7-17)28(26,27)23-12-10-22(11-13-23)16(2)24/h3-9,14H,10-13H2,1-2H3,(H,21,25)
InChIKeyJKSZEBVTFRXXLU-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

4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713922
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951793
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide
CID 19257247
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
CID 19257253
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide
CID 18229319
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide (CID 9179296) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide?
The InChIKey is JKSZEBVTFRXXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15-4-3-5-18(14-15)21-20(25)17-6-8-19(9-7-17)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 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-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 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 9179296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).