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

C25H22N4O4S2 — CID 158570203

IUPACmethane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESC.Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3n2)o1
InChIInChI=1S/C24H18N4O4S2.CH4/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);1H4
InChIKeyHRZGDGSODOMORW-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.95
Rot. Bonds6

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

methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 158570203) has the molecular formula C25H22N4O4S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Namemethane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID158570203
Molecular FormulaC25H22N4O4S2
Molecular Weight506.61 g/mol
Exact Mass506.11
IUPAC Namemethane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESC.Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3n2)o1
InChIInChI=1S/C24H18N4O4S2.CH4/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);1H4
InChIKeyHRZGDGSODOMORW-UHFFFAOYSA-N
XLogP5.95
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 158570203) is methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is C.Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3n2)o1.
What is the InChIKey of methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is HRZGDGSODOMORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4S2.CH4/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);1H4.
What are the key properties of methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 158570203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).