ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate

C17H22N2O5S — CID 120876450

IUPACethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(S(=O)(=O)N[C@@H]3CCCNC3)cc2c1C
InChIInChI=1S/C17H22N2O5S/c1-3-23-17(20)16-11(2)14-9-13(6-7-15(14)24-16)25(21,22)19-12-5-4-8-18-10-12/h6-7,9,12,18-19H,3-5,8,10H2,1-2H3/t12-/m1/s1
InChIKeyHMYXICLDJMJHBH-GFCCVEGCSA-N
MW366.44 g/mol
LogP1.95
Rot. Bonds5

About ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate

ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate (PubChem CID 120876450) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
PubChem CID120876450
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Nameethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(S(=O)(=O)N[C@@H]3CCCNC3)cc2c1C
InChIInChI=1S/C17H22N2O5S/c1-3-23-17(20)16-11(2)14-9-13(6-7-15(14)24-16)25(21,22)19-12-5-4-8-18-10-12/h6-7,9,12,18-19H,3-5,8,10H2,1-2H3/t12-/m1/s1
InChIKeyHMYXICLDJMJHBH-GFCCVEGCSA-N
XLogP1.95
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-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 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate (CID 120876450) is ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(S(=O)(=O)N[C@@H]3CCCNC3)cc2c1C.
What is the InChIKey of ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate?
The InChIKey is HMYXICLDJMJHBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-3-23-17(20)16-11(2)14-9-13(6-7-15(14)24-16)25(21,22)19-12-5-4-8-18-10-12/h6-7,9,12,18-19H,3-5,8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate?
ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 120876450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).