N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

C22H17N3O4S2 — CID 1222926

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C22H17N3O4S2/c1-14(26)25-31(28,29)16-10-8-15(9-11-16)23-22(27)18-13-20(21-7-4-12-30-21)24-19-6-3-2-5-17(18)19/h2-13H,1H3,(H,23,27)(H,25,26)
InChIKeyXKBGFQNJWSIEHL-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 1222926) has the molecular formula C22H17N3O4S2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID1222926
Molecular FormulaC22H17N3O4S2
Molecular Weight451.53 g/mol
Exact Mass451.07
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C22H17N3O4S2/c1-14(26)25-31(28,29)16-10-8-15(9-11-16)23-22(27)18-13-20(21-7-4-12-30-21)24-19-6-3-2-5-17(18)19/h2-13H,1H3,(H,23,27)(H,25,26)
InChIKeyXKBGFQNJWSIEHL-UHFFFAOYSA-N
XLogP4.04
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 1222926) is N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is XKBGFQNJWSIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S2/c1-14(26)25-31(28,29)16-10-8-15(9-11-16)23-22(27)18-13-20(21-7-4-12-30-21)24-19-6-3-2-5-17(18)19/h2-13H,1H3,(H,23,27)(H,25,26).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1222926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).