2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide

C23H31N3O6S — CID 42175689

IUPAC2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O6S/c1-30-20-10-8-19(9-11-20)25-13-15-26(16-14-25)33(28,29)17-5-12-24-23(27)18-32-22-7-4-3-6-21(22)31-2/h3-4,6-11H,5,12-18H2,1-2H3,(H,24,27)
InChIKeyGODXVNDAGGEXKY-UHFFFAOYSA-N
MW477.58 g/mol
LogP1.74
Rot. Bonds11

About 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide

2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide (PubChem CID 42175689) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
PubChem CID42175689
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Name2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O6S/c1-30-20-10-8-19(9-11-20)25-13-15-26(16-14-25)33(28,29)17-5-12-24-23(27)18-32-22-7-4-3-6-21(22)31-2/h3-4,6-11H,5,12-18H2,1-2H3,(H,24,27)
InChIKeyGODXVNDAGGEXKY-UHFFFAOYSA-N
XLogP1.74
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439652
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide
CID 42175402
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-3,3-dimethylbutanamide
CID 42175622
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(2-methoxyphenoxy)acetamide
CID 22578807
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide
CID 42175730
5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175671
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
CID 41349450
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide (CID 42175689) is 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide is COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3OC)CC2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide?
The InChIKey is GODXVNDAGGEXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S/c1-30-20-10-8-19(9-11-20)25-13-15-26(16-14-25)33(28,29)17-5-12-24-23(27)18-32-22-7-4-3-6-21(22)31-2/h3-4,6-11H,5,12-18H2,1-2H3,(H,24,27).
What are the key properties of 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide?
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide has a molecular weight of 477.58 g/mol, XLogP of 1.74, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide is sourced from PubChem (CID 42175689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).