ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate

C14H20N2O7S — CID 2809838

IUPACethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2coc(C)c2C(=O)OC)CC1
InChIInChI=1S/C14H20N2O7S/c1-4-22-14(18)15-5-7-16(8-6-15)24(19,20)11-9-23-10(2)12(11)13(17)21-3/h9H,4-8H2,1-3H3
InChIKeySCPALDYEBZHURJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.84
Rot. Bonds4

About ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate

ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate (PubChem CID 2809838) has the molecular formula C14H20N2O7S and a molecular weight of 360.39 g/mol. Its IUPAC name is ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate
PubChem CID2809838
Molecular FormulaC14H20N2O7S
Molecular Weight360.39 g/mol
Exact Mass360.10
IUPAC Nameethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2coc(C)c2C(=O)OC)CC1
InChIInChI=1S/C14H20N2O7S/c1-4-22-14(18)15-5-7-16(8-6-15)24(19,20)11-9-23-10(2)12(11)13(17)21-3/h9H,4-8H2,1-3H3
InChIKeySCPALDYEBZHURJ-UHFFFAOYSA-N
XLogP0.84
TPSA106.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate (CID 2809838) is ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2coc(C)c2C(=O)OC)CC1.
What is the InChIKey of ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate?
The InChIKey is SCPALDYEBZHURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7S/c1-4-22-14(18)15-5-7-16(8-6-15)24(19,20)11-9-23-10(2)12(11)13(17)21-3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxycarbonyl-5-methylfuran-3-yl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 2809838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).