ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate

C17H24N2O7S — CID 1092930

IUPACethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1
InChIInChI=1S/C17H24N2O7S/c1-4-25-17(21)18-7-9-19(10-8-18)27(22,23)14-5-6-15(13(2)11-14)26-12-16(20)24-3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyHZNRCBPVCCFHMA-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.01
Rot. Bonds6

About ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate

ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate (PubChem CID 1092930) has the molecular formula C17H24N2O7S and a molecular weight of 400.45 g/mol. Its IUPAC name is ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate
PubChem CID1092930
Molecular FormulaC17H24N2O7S
Molecular Weight400.45 g/mol
Exact Mass400.13
IUPAC Nameethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1
InChIInChI=1S/C17H24N2O7S/c1-4-25-17(21)18-7-9-19(10-8-18)27(22,23)14-5-6-15(13(2)11-14)26-12-16(20)24-3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyHZNRCBPVCCFHMA-UHFFFAOYSA-N
XLogP1.01
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate 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-(Azepane-1-sulfonyl)-2-methyl-phenoxy]-acetic acid methyl ester
CID 972892
Ethyl 4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazine-1-carboxylate
CID 1260937
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
Ethyl 4-{[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonyl}-1-piperazinecarboxylate
CID 1082993
4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1243945
2-[4-[2-(1-Cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester
CID 2211650
4-{[2-Methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}morpholine
CID 2226440
Ethyl 1-{[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}-4-piperidinecarboxylate
CID 2971625
N-cyclohexyl-3-methyl-4-[2-(4-morpholinyl)-2-oxoethoxy]benzenesulfonamide
CID 2981791
[1-(4-Ethoxy-3-methyl-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 3162877
2-[2-Methyl-4-(morpholine-4-sulfonyl)-phenoxy]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6495098
Methyl [2-methyl-4-(morpholin-4-ylsulfonyl)phenoxy]acetate
CID 972838

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate (CID 1092930) is ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1.
What is the InChIKey of ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate?
The InChIKey is HZNRCBPVCCFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O7S/c1-4-25-17(21)18-7-9-19(10-8-18)27(22,23)14-5-6-15(13(2)11-14)26-12-16(20)24-3/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate?
ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate has a molecular weight of 400.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 1092930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).