N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide

C26H28N4O4S — CID 43924269

IUPACN-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C26H28N4O4S/c1-20(31)27-23-10-12-24(13-11-23)28-26(32)22-7-5-6-21(18-22)19-29-14-16-30(17-15-29)35(33,34)25-8-3-2-4-9-25/h2-13,18H,14-17,19H2,1H3,(H,27,31)(H,28,32)
InChIKeyCPZICLYHRCXABV-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.40
Rot. Bonds7

About N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide

N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide (PubChem CID 43924269) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
PubChem CID43924269
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C26H28N4O4S/c1-20(31)27-23-10-12-24(13-11-23)28-26(32)22-7-5-6-21(18-22)19-29-14-16-30(17-15-29)35(33,34)25-8-3-2-4-9-25/h2-13,18H,14-17,19H2,1H3,(H,27,31)(H,28,32)
InChIKeyCPZICLYHRCXABV-UHFFFAOYSA-N
XLogP3.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dichlorophenyl)benzamide
CID 38096110
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)benzamide
CID 43919286
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 43924856
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-methylsulfanylphenyl)benzamide
CID 43922873
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925182
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925181
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 43923749
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 26915695
N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide
CID 42993180
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4-difluorophenyl)benzamide
CID 43923148
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-phenoxyphenyl)benzamide
CID 38099477
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 43918658

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide (CID 43924269) is N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide is CC(=O)Nc1ccc(NC(=O)c2cccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is CPZICLYHRCXABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-20(31)27-23-10-12-24(13-11-23)28-26(32)22-7-5-6-21(18-22)19-29-14-16-30(17-15-29)35(33,34)25-8-3-2-4-9-25/h2-13,18H,14-17,19H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide?
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 492.60 g/mol, XLogP of 3.40, 7 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-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 43924269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).