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

C24H17N5O3S2 — CID 2385808

IUPAC2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H17N5O3S2/c30-23(27-17-5-7-18(8-6-17)34(31,32)29-24-26-13-14-33-24)20-15-22(16-9-11-25-12-10-16)28-21-4-2-1-3-19(20)21/h1-15H,(H,26,29)(H,27,30)
InChIKeyVBLSKDCBYBLTKM-UHFFFAOYSA-N
MW487.57 g/mol
LogP4.81
Rot. Bonds6

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

2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 2385808) has the molecular formula C24H17N5O3S2 and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID2385808
Molecular FormulaC24H17N5O3S2
Molecular Weight487.57 g/mol
Exact Mass487.08
IUPAC Name2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H17N5O3S2/c30-23(27-17-5-7-18(8-6-17)34(31,32)29-24-26-13-14-33-24)20-15-22(16-9-11-25-12-10-16)28-21-4-2-1-3-19(20)21/h1-15H,(H,26,29)(H,27,30)
InChIKeyVBLSKDCBYBLTKM-UHFFFAOYSA-N
XLogP4.81
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 2385808) is 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is VBLSKDCBYBLTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3S2/c30-23(27-17-5-7-18(8-6-17)34(31,32)29-24-26-13-14-33-24)20-15-22(16-9-11-25-12-10-16)28-21-4-2-1-3-19(20)21/h1-15H,(H,26,29)(H,27,30).
What are the key properties of 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 2385808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).