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

C16H23N3O5S — CID 139006671

IUPACmethyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
SMILESCCCC(C)c1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)n[nH]1
InChIInChI=1S/C16H23N3O5S/c1-6-7-9(2)12-8-13(18-17-12)19-25(21,22)15-11(4)24-10(3)14(15)16(20)23-5/h8-9H,6-7H2,1-5H3,(H2,17,18,19)
InChIKeyZBIRBIOFGZJQSN-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.11
Rot. Bonds7

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

methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate (PubChem CID 139006671) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
PubChem CID139006671
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Namemethyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
SMILESCCCC(C)c1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)n[nH]1
InChIInChI=1S/C16H23N3O5S/c1-6-7-9(2)12-8-13(18-17-12)19-25(21,22)15-11(4)24-10(3)14(15)16(20)23-5/h8-9H,6-7H2,1-5H3,(H2,17,18,19)
InChIKeyZBIRBIOFGZJQSN-UHFFFAOYSA-N
XLogP3.11
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate (CID 139006671) is methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate is CCCC(C)c1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)n[nH]1.
What is the InChIKey of methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The InChIKey is ZBIRBIOFGZJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-6-7-9(2)12-8-13(18-17-12)19-25(21,22)15-11(4)24-10(3)14(15)16(20)23-5/h8-9H,6-7H2,1-5H3,(H2,17,18,19).
What are the key properties of methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 139006671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).