ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate

C19H24N2O5S — CID 120765458

IUPACethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCNCC2c2ccc(CC)cc2)o1
InChIInChI=1S/C19H24N2O5S/c1-3-14-5-7-15(8-6-14)16-13-20-11-12-21(16)27(23,24)18-10-9-17(26-18)19(22)25-4-2/h5-10,16,20H,3-4,11-13H2,1-2H3
InChIKeyOKZLGVIPTMPGHL-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.35
Rot. Bonds6

About ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate

ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate (PubChem CID 120765458) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
PubChem CID120765458
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Nameethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCNCC2c2ccc(CC)cc2)o1
InChIInChI=1S/C19H24N2O5S/c1-3-14-5-7-15(8-6-14)16-13-20-11-12-21(16)27(23,24)18-10-9-17(26-18)19(22)25-4-2/h5-10,16,20H,3-4,11-13H2,1-2H3
InChIKeyOKZLGVIPTMPGHL-UHFFFAOYSA-N
XLogP2.35
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
CID 120765362
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-2-methylfuran-3-carboxylate;hydrochloride
CID 120765513
1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765370
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 120765584
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylpyridine-2-carboxylate;hydrochloride
CID 120765525
2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765523
ethyl 5-(piperidin-3-ylsulfamoyl)furan-2-carboxylate
CID 119964317
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-3,5-difluorobenzonitrile
CID 120765606
2-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876816
ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 55653262
ethyl 5-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 60508886

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate?
The IUPAC name of ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate (CID 120765458) is ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N2CCNCC2c2ccc(CC)cc2)o1.
What is the InChIKey of ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate?
The InChIKey is OKZLGVIPTMPGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-14-5-7-15(8-6-14)16-13-20-11-12-21(16)27(23,24)18-10-9-17(26-18)19(22)25-4-2/h5-10,16,20H,3-4,11-13H2,1-2H3.
What are the key properties of ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate?
ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate has a molecular weight of 392.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate is sourced from PubChem (CID 120765458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).