5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide

C19H24F2N2O5S — CID 55656061

IUPAC5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1ccccc1OC(F)F
InChIInChI=1S/C19H24F2N2O5S/c1-5-13(12-8-6-7-9-14(12)28-18(20)21)22-17(24)15-10-11-16(27-15)29(25,26)23-19(2,3)4/h6-11,13,18,23H,5H2,1-4H3,(H,22,24)
InChIKeyZHJKFKMRPHXYJJ-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.84
Rot. Bonds8

About 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide (PubChem CID 55656061) has the molecular formula C19H24F2N2O5S and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide
PubChem CID55656061
Molecular FormulaC19H24F2N2O5S
Molecular Weight430.47 g/mol
Exact Mass430.14
IUPAC Name5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1ccccc1OC(F)F
InChIInChI=1S/C19H24F2N2O5S/c1-5-13(12-8-6-7-9-14(12)28-18(20)21)22-17(24)15-10-11-16(27-15)29(25,26)23-19(2,3)4/h6-11,13,18,23H,5H2,1-4H3,(H,22,24)
InChIKeyZHJKFKMRPHXYJJ-UHFFFAOYSA-N
XLogP3.84
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide (CID 55656061) is 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide is CCC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1ccccc1OC(F)F.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide?
The InChIKey is ZHJKFKMRPHXYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O5S/c1-5-13(12-8-6-7-9-14(12)28-18(20)21)22-17(24)15-10-11-16(27-15)29(25,26)23-19(2,3)4/h6-11,13,18,23H,5H2,1-4H3,(H,22,24).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide is sourced from PubChem (CID 55656061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).