N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C26H21N5O3S2 — CID 4575874

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 4575874) has the molecular formula C26H21N5O3S2 and a molecular weight of 515.62 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
• PubChem CID: 4575874
• Molecular Formula: C26H21N5O3S2
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.11
• IUPAC Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
• SMILES: Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)s4)nc4ccccc34)cc2)n1
• InChI: InChI=1S/C26H21N5O3S2/c1-16-13-14-27-26(28-16)31-36(33,34)19-10-8-18(9-11-19)29-25(32)21-15-23(24-12-7-17(2)35-24)30-22-6-4-3-5-20(21)22/h3-15H,1-2H3,(H,29,32)(H,27,28,31)
• InChIKey: KYEHZKOVBZGSSW-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 113.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?

The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 4575874) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?

The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)s4)nc4ccccc34)cc2)n1.

What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?

The InChIKey is KYEHZKOVBZGSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S2/c1-16-13-14-27-26(28-16)31-36(33,34)19-10-8-18(9-11-19)29-25(32)21-15-23(24-12-7-17(2)35-24)30-22-6-4-3-5-20(21)22/h3-15H,1-2H3,(H,29,32)(H,27,28,31).

What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4575874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).