N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

C25H19N5O3S2 — CID 2147326

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)n1
InChIInChI=1S/C25H19N5O3S2/c1-16-12-13-26-25(27-16)30-35(32,33)18-10-8-17(9-11-18)28-24(31)20-15-22(23-7-4-14-34-23)29-21-6-3-2-5-19(20)21/h2-15H,1H3,(H,28,31)(H,26,27,30)
InChIKeyOGWXHSSLVZOSRC-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.11
Rot. Bonds6

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2147326) has the molecular formula C25H19N5O3S2 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2147326
Molecular FormulaC25H19N5O3S2
Molecular Weight501.59 g/mol
Exact Mass501.09
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)n1
InChIInChI=1S/C25H19N5O3S2/c1-16-12-13-26-25(27-16)30-35(32,33)18-10-8-17(9-11-18)28-24(31)20-15-22(23-7-4-14-34-23)29-21-6-3-2-5-19(20)21/h2-15H,1H3,(H,28,31)(H,26,27,30)
InChIKeyOGWXHSSLVZOSRC-UHFFFAOYSA-N
XLogP5.11
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 2147326) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is OGWXHSSLVZOSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3S2/c1-16-12-13-26-25(27-16)30-35(32,33)18-10-8-17(9-11-18)28-24(31)20-15-22(23-7-4-14-34-23)29-21-6-3-2-5-19(20)21/h2-15H,1H3,(H,28,31)(H,26,27,30).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 5.11, 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-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2147326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).