2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C17H16Br2N2O3S — CID 26675446

IUPAC2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Br)cc1Br)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16Br2N2O3S/c18-12-3-4-14(13(19)10-12)24-11-16(22)20-5-7-21(8-6-20)17(23)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2
InChIKeyPYJBSNFSQZMKGZ-UHFFFAOYSA-N
MW488.20 g/mol
LogP3.64
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 26675446) has the molecular formula C17H16Br2N2O3S and a molecular weight of 488.20 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID26675446
Molecular FormulaC17H16Br2N2O3S
Molecular Weight488.20 g/mol
Exact Mass485.92
IUPAC Name2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Br)cc1Br)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16Br2N2O3S/c18-12-3-4-14(13(19)10-12)24-11-16(22)20-5-7-21(8-6-20)17(23)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2
InChIKeyPYJBSNFSQZMKGZ-UHFFFAOYSA-N
XLogP3.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.20
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546420
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
CID 8608210
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022751
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
CID 40692284
2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5229734
[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 90643655
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5,6-dichloropyridine-3-carboxylate
CID 46814013
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 26675446) is 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(COc1ccc(Br)cc1Br)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is PYJBSNFSQZMKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3S/c18-12-3-4-14(13(19)10-12)24-11-16(22)20-5-7-21(8-6-20)17(23)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2.
What are the key properties of 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 488.20 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 26675446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).