2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

C24H18N4O4S2 — CID 5067820

IUPAC2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3n2)o1
InChIInChI=1S/C24H18N4O4S2/c1-15-6-11-22(32-15)21-14-19(18-4-2-3-5-20(18)27-21)23(29)26-16-7-9-17(10-8-16)34(30,31)28-24-25-12-13-33-24/h2-14H,1H3,(H,25,28)(H,26,29)
InChIKeyQHCCXSNHOMKLOD-UHFFFAOYSA-N
MW490.57 g/mol
LogP5.31
Rot. Bonds6

About 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 5067820) has the molecular formula C24H18N4O4S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID5067820
Molecular FormulaC24H18N4O4S2
Molecular Weight490.57 g/mol
Exact Mass490.08
IUPAC Name2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3n2)o1
InChIInChI=1S/C24H18N4O4S2/c1-15-6-11-22(32-15)21-14-19(18-4-2-3-5-20(18)27-21)23(29)26-16-7-9-17(10-8-16)34(30,31)28-24-25-12-13-33-24/h2-14H,1H3,(H,25,28)(H,26,29)
InChIKeyQHCCXSNHOMKLOD-UHFFFAOYSA-N
XLogP5.31
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 5067820) is 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is QHCCXSNHOMKLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4S2/c1-15-6-11-22(32-15)21-14-19(18-4-2-3-5-20(18)27-21)23(29)26-16-7-9-17(10-8-16)34(30,31)28-24-25-12-13-33-24/h2-14H,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 5067820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).