N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

C23H16N4O3S3 — CID 2164452

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H16N4O3S3/c28-22(18-14-20(21-6-3-12-31-21)26-19-5-2-1-4-17(18)19)25-15-7-9-16(10-8-15)33(29,30)27-23-24-11-13-32-23/h1-14H,(H,24,27)(H,25,28)
InChIKeyBNKRAYDPUDOBAS-UHFFFAOYSA-N
MW492.61 g/mol
LogP5.47
Rot. Bonds6

About N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2164452) has the molecular formula C23H16N4O3S3 and a molecular weight of 492.61 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2164452
Molecular FormulaC23H16N4O3S3
Molecular Weight492.61 g/mol
Exact Mass492.04
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H16N4O3S3/c28-22(18-14-20(21-6-3-12-31-21)26-19-5-2-1-4-17(18)19)25-15-7-9-16(10-8-15)33(29,30)27-23-24-11-13-32-23/h1-14H,(H,24,27)(H,25,28)
InChIKeyBNKRAYDPUDOBAS-UHFFFAOYSA-N
XLogP5.47
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.61
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 2164452) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is BNKRAYDPUDOBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S3/c28-22(18-14-20(21-6-3-12-31-21)26-19-5-2-1-4-17(18)19)25-15-7-9-16(10-8-15)33(29,30)27-23-24-11-13-32-23/h1-14H,(H,24,27)(H,25,28).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2164452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).