methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate

C16H23N3O5S — CID 139000249

IUPACmethyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate
SMILESCCCC(C)c1cc(NS(=O)(=O)c2cc(C(=O)OC)oc2CC)n[nH]1
InChIInChI=1S/C16H23N3O5S/c1-5-7-10(3)11-8-15(18-17-11)19-25(21,22)14-9-13(16(20)23-4)24-12(14)6-2/h8-10H,5-7H2,1-4H3,(H2,17,18,19)
InChIKeyXIYDAYQTQXZFCS-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.06
Rot. Bonds8

About methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate

methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate (PubChem CID 139000249) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate
PubChem CID139000249
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Namemethyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate
SMILESCCCC(C)c1cc(NS(=O)(=O)c2cc(C(=O)OC)oc2CC)n[nH]1
InChIInChI=1S/C16H23N3O5S/c1-5-7-10(3)11-8-15(18-17-11)19-25(21,22)14-9-13(16(20)23-4)24-12(14)6-2/h8-10H,5-7H2,1-4H3,(H2,17,18,19)
InChIKeyXIYDAYQTQXZFCS-UHFFFAOYSA-N
XLogP3.06
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate?
The IUPAC name of methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate (CID 139000249) is methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate is CCCC(C)c1cc(NS(=O)(=O)c2cc(C(=O)OC)oc2CC)n[nH]1.
What is the InChIKey of methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate?
The InChIKey is XIYDAYQTQXZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-5-7-10(3)11-8-15(18-17-11)19-25(21,22)14-9-13(16(20)23-4)24-12(14)6-2/h8-10H,5-7H2,1-4H3,(H2,17,18,19).
What are the key properties of methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate?
methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 139000249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).