6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide

C21H16N4O5S — CID 4898571

IUPAC6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc(=O)c2c1
InChIInChI=1S/C21H16N4O5S/c1-13-3-8-18-16(11-13)17(26)12-19(30-18)20(27)24-14-4-6-15(7-5-14)31(28,29)25-21-22-9-2-10-23-21/h2-12H,1H3,(H,24,27)(H,22,23,25)
InChIKeyWKSFJIKPALHLGR-UHFFFAOYSA-N
MW436.45 g/mol
LogP2.94
Rot. Bonds5

About 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide

6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide (PubChem CID 4898571) has the molecular formula C21H16N4O5S and a molecular weight of 436.45 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide
PubChem CID4898571
Molecular FormulaC21H16N4O5S
Molecular Weight436.45 g/mol
Exact Mass436.08
IUPAC Name6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc(=O)c2c1
InChIInChI=1S/C21H16N4O5S/c1-13-3-8-18-16(11-13)17(26)12-19(30-18)20(27)24-14-4-6-15(7-5-14)31(28,29)25-21-22-9-2-10-23-21/h2-12H,1H3,(H,24,27)(H,22,23,25)
InChIKeyWKSFJIKPALHLGR-UHFFFAOYSA-N
XLogP2.94
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide (CID 4898571) is 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide?
The InChIKey is WKSFJIKPALHLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5S/c1-13-3-8-18-16(11-13)17(26)12-19(30-18)20(27)24-14-4-6-15(7-5-14)31(28,29)25-21-22-9-2-10-23-21/h2-12H,1H3,(H,24,27)(H,22,23,25).
What are the key properties of 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide?
6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide is sourced from PubChem (CID 4898571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).