methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate

C17H20N2O6S — CID 120763083

IUPACmethyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)N2CCNCC2c2ccccc2OC)c1
InChIInChI=1S/C17H20N2O6S/c1-23-15-6-4-3-5-13(15)14-10-18-7-8-19(14)26(21,22)16-9-12(11-25-16)17(20)24-2/h3-6,9,11,14,18H,7-8,10H2,1-2H3
InChIKeyWEWKXWUODBTRQN-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.41
Rot. Bonds5

About methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate

methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate (PubChem CID 120763083) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate
PubChem CID120763083
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Namemethyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)N2CCNCC2c2ccccc2OC)c1
InChIInChI=1S/C17H20N2O6S/c1-23-15-6-4-3-5-13(15)14-10-18-7-8-19(14)26(21,22)16-9-12(11-25-16)17(20)24-2/h3-6,9,11,14,18H,7-8,10H2,1-2H3
InChIKeyWEWKXWUODBTRQN-UHFFFAOYSA-N
XLogP1.41
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120763445
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 120763352
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
CID 120763116
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate?
The IUPAC name of methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate (CID 120763083) is methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate is COC(=O)c1coc(S(=O)(=O)N2CCNCC2c2ccccc2OC)c1.
What is the InChIKey of methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate?
The InChIKey is WEWKXWUODBTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-23-15-6-4-3-5-13(15)14-10-18-7-8-19(14)26(21,22)16-9-12(11-25-16)17(20)24-2/h3-6,9,11,14,18H,7-8,10H2,1-2H3.
What are the key properties of methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate?
methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate is sourced from PubChem (CID 120763083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).