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

C20H23N3O5S — CID 19257253

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1
InChIInChI=1S/C20H23N3O5S/c1-15(24)22-9-11-23(12-10-22)29(26,27)19-8-3-5-16(13-19)20(25)21-17-6-4-7-18(14-17)28-2/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)
InChIKeyGARKJFFTRSUNSJ-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.80
Rot. Bonds5

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

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide (PubChem CID 19257253) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
PubChem CID19257253
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1
InChIInChI=1S/C20H23N3O5S/c1-15(24)22-9-11-23(12-10-22)29(26,27)19-8-3-5-16(13-19)20(25)21-17-6-4-7-18(14-17)28-2/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)
InChIKeyGARKJFFTRSUNSJ-UHFFFAOYSA-N
XLogP1.80
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26687870
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide
CID 19257247
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide
CID 18229319
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 19257272
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide (CID 19257253) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide?
The InChIKey is GARKJFFTRSUNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-15(24)22-9-11-23(12-10-22)29(26,27)19-8-3-5-16(13-19)20(25)21-17-6-4-7-18(14-17)28-2/h3-8,13-14H,9-12H2,1-2H3,(H,21,25).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide has a molecular weight of 417.49 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 19257253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).