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

C22H29N3O6S — CID 22578878

IUPAC2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O6S/c1-29-19-5-3-18(4-6-19)24-12-14-25(15-13-24)32(27,28)16-11-23-22(26)17-31-21-9-7-20(30-2)8-10-21/h3-10H,11-17H2,1-2H3,(H,23,26)
InChIKeyVWHKNGBSYMFZML-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.35
Rot. Bonds10

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

2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 22578878) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID22578878
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O6S/c1-29-19-5-3-18(4-6-19)24-12-14-25(15-13-24)32(27,28)16-11-23-22(26)17-31-21-9-7-20(30-2)8-10-21/h3-10H,11-17H2,1-2H3,(H,23,26)
InChIKeyVWHKNGBSYMFZML-UHFFFAOYSA-N
XLogP1.35
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
CID 41349450
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-methylphenoxy)acetamide
CID 41349328
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-3,3-dimethylbutanamide
CID 42175622
N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 16826988
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110346040
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 22578878) is 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide is COc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is VWHKNGBSYMFZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-29-19-5-3-18(4-6-19)24-12-14-25(15-13-24)32(27,28)16-11-23-22(26)17-31-21-9-7-20(30-2)8-10-21/h3-10H,11-17H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 1.35, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 22578878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).