2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide

C25H26BrN3O4S — CID 17320534

IUPAC2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C25H26BrN3O4S/c1-33-24-5-3-2-4-23(24)28-14-16-29(17-15-28)34(31,32)22-12-10-21(11-13-22)27-25(30)18-19-6-8-20(26)9-7-19/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyHWKWBQRYYKYNBJ-UHFFFAOYSA-N
MW544.47 g/mol
LogP4.15
Rot. Bonds7

About 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide

2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 17320534) has the molecular formula C25H26BrN3O4S and a molecular weight of 544.47 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID17320534
Molecular FormulaC25H26BrN3O4S
Molecular Weight544.47 g/mol
Exact Mass543.08
IUPAC Name2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C25H26BrN3O4S/c1-33-24-5-3-2-4-23(24)28-14-16-29(17-15-28)34(31,32)22-12-10-21(11-13-22)27-25(30)18-19-6-8-20(26)9-7-19/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyHWKWBQRYYKYNBJ-UHFFFAOYSA-N
XLogP4.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320520
3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321608
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
CID 17320775
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
3,5-dimethoxy-N-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylanilino]-3-oxopropyl]benzamide
CID 17191829
N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653629
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitrobenzamide
CID 17319594
1-(2-ethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120527
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 41093278
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 17320534) is 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is HWKWBQRYYKYNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O4S/c1-33-24-5-3-2-4-23(24)28-14-16-29(17-15-28)34(31,32)22-12-10-21(11-13-22)27-25(30)18-19-6-8-20(26)9-7-19/h2-13H,14-18H2,1H3,(H,27,30).
What are the key properties of 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 544.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 17320534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).