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

C19H22N2O4S — CID 108535595

IUPAC2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O4S/c1-2-24-15-6-3-4-7-16(15)25-14-18(22)20-9-11-21(12-10-20)19(23)17-8-5-13-26-17/h3-8,13H,2,9-12,14H2,1H3
InChIKeyIKXRZKRTDHHJRJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.51
Rot. Bonds6

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

2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 108535595) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID108535595
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O4S/c1-2-24-15-6-3-4-7-16(15)25-14-18(22)20-9-11-21(12-10-20)19(23)17-8-5-13-26-17/h3-8,13H,2,9-12,14H2,1H3
InChIKeyIKXRZKRTDHHJRJ-UHFFFAOYSA-N
XLogP2.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546420
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
CID 40692284
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108546404
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 26675446
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394378
4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
CID 8608210

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 108535595) is 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is CCOc1ccccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is IKXRZKRTDHHJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-24-15-6-3-4-7-16(15)25-14-18(22)20-9-11-21(12-10-20)19(23)17-8-5-13-26-17/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 374.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108535595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).