ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate

C19H30N2O6S — CID 71165982

IUPACethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate
SMILESCCOC(=O)COCC1CN(C)CCN1S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C19H30N2O6S/c1-6-27-18(22)13-26-12-16-11-20(4)7-8-21(16)28(23,24)19-14(2)9-17(25-5)10-15(19)3/h9-10,16H,6-8,11-13H2,1-5H3
InChIKeyOMTFWKOWQUVFKW-UHFFFAOYSA-N
MW414.52 g/mol
LogP1.20
Rot. Bonds8

About ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate

ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate (PubChem CID 71165982) has the molecular formula C19H30N2O6S and a molecular weight of 414.52 g/mol. Its IUPAC name is ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate
PubChem CID71165982
Molecular FormulaC19H30N2O6S
Molecular Weight414.52 g/mol
Exact Mass414.18
IUPAC Nameethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate
SMILESCCOC(=O)COCC1CN(C)CCN1S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C19H30N2O6S/c1-6-27-18(22)13-26-12-16-11-20(4)7-8-21(16)28(23,24)19-14(2)9-17(25-5)10-15(19)3/h9-10,16H,6-8,11-13H2,1-5H3
InChIKeyOMTFWKOWQUVFKW-UHFFFAOYSA-N
XLogP1.20
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate with MolForge

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Related Compounds

2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 71165938
1-[4-(azonan-1-yl)piperidin-1-yl]-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]ethanone
CID 143534348
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]-1-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]ethanone
CID 143534574
butyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetate
CID 90986622
ethyl 2-[[2-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]acetate
CID 59486485
4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde;2-(ethoxymethyl)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazine
CID 143534515
tert-butyl 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,1-dioxo-1,4-thiazinan-3-yl]methoxy]acetate
CID 71057219
2-[[(2S)-4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 91169489
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid;2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetyl chloride
CID 160925171
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]ethanone
CID 143534584
2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 71166052
tert-butyl 3-(hydroxymethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 71166027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate?
The IUPAC name of ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate (CID 71165982) is ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate.
What is the SMILES notation for ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate?
The canonical SMILES for ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate is CCOC(=O)COCC1CN(C)CCN1S(=O)(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate?
The InChIKey is OMTFWKOWQUVFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6S/c1-6-27-18(22)13-26-12-16-11-20(4)7-8-21(16)28(23,24)19-14(2)9-17(25-5)10-15(19)3/h9-10,16H,6-8,11-13H2,1-5H3.
What are the key properties of ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate?
ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate has a molecular weight of 414.52 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate is sourced from PubChem (CID 71165982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).