N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide

C26H27N3O4S — CID 42993180

IUPACN-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O4S/c1-20(30)24-12-5-6-13-25(24)27-26(31)22-10-7-11-23(18-22)34(32,33)29-16-14-28(15-17-29)19-21-8-3-2-4-9-21/h2-13,18H,14-17,19H2,1H3,(H,27,31)
InChIKeyJKOACIRJWOFYKX-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.65
Rot. Bonds7

About N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide

N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 42993180) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide
PubChem CID42993180
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O4S/c1-20(30)24-12-5-6-13-25(24)27-26(31)22-10-7-11-23(18-22)34(32,33)29-16-14-28(15-17-29)19-21-8-3-2-4-9-21/h2-13,18H,14-17,19H2,1H3,(H,27,31)
InChIKeyJKOACIRJWOFYKX-UHFFFAOYSA-N
XLogP3.65
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43925510
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 26915695
methyl 3-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 55413124
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate
CID 99848114
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 43925690
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 42991798
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dichlorophenyl)benzamide
CID 38096110
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-phenoxyphenyl)benzamide
CID 38099477
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)benzamide
CID 43919286
N-butan-2-yl-2-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 43923588

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide (CID 42993180) is N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide is CC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is JKOACIRJWOFYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-20(30)24-12-5-6-13-25(24)27-26(31)22-10-7-11-23(18-22)34(32,33)29-16-14-28(15-17-29)19-21-8-3-2-4-9-21/h2-13,18H,14-17,19H2,1H3,(H,27,31).
What are the key properties of N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide?
N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 477.59 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 42993180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).