2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide

C22H29N3O5S — CID 25285504

IUPAC2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-18-4-3-5-19(16-18)24-11-13-25(14-12-24)31(27,28)15-10-23-22(26)17-30-21-8-6-20(29-2)7-9-21/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyFRJMIZLSQBJHDI-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.65
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide

2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 25285504) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID25285504
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-18-4-3-5-19(16-18)24-11-13-25(14-12-24)31(27,28)15-10-23-22(26)17-30-21-8-6-20(29-2)7-9-21/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyFRJMIZLSQBJHDI-UHFFFAOYSA-N
XLogP1.65
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-methylphenoxy)acetamide
CID 41349328
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
CID 42175822
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(2-methoxyphenoxy)acetamide
CID 22578807
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110346040
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 16826988
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 25285504) is 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide is COc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is FRJMIZLSQBJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-18-4-3-5-19(16-18)24-11-13-25(14-12-24)31(27,28)15-10-23-22(26)17-30-21-8-6-20(29-2)7-9-21/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 25285504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).