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

C23H22N2O3S — CID 3149185

IUPAC2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H22N2O3S/c26-22(24-12-14-25(15-13-24)23(27)21-7-4-16-29-21)17-28-20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-11,16H,12-15,17H2
InChIKeyZAFGQJQNKBCXAZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.78
Rot. Bonds5

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

2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 3149185) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID3149185
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H22N2O3S/c26-22(24-12-14-25(15-13-24)23(27)21-7-4-16-29-21)17-28-20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-11,16H,12-15,17H2
InChIKeyZAFGQJQNKBCXAZ-UHFFFAOYSA-N
XLogP3.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-Methoxyphenyl)piperidino](2-thienyl)methanone
CID 574275
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
(6-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
CID 44412634
(7-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
CID 44412635
N-(3-Methoxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934039
N-benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934185
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512098
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 67512330
US9776991, Example 17
CID 118112570
1-[(3-Methylphenoxy)acetyl]-4-(2-thienylcarbonyl)piperazine
CID 742500

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 3149185) is 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ZAFGQJQNKBCXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c26-22(24-12-14-25(15-13-24)23(27)21-7-4-16-29-21)17-28-20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-11,16H,12-15,17H2.
What are the key properties of 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 406.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 3149185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).