N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide

C26H26N4O5S — CID 19446559

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19446559) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19446559
• Molecular Formula: C26H26N4O5S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
• SMILES: CCc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)o2)cc1
• InChI: InChI=1S/C26H26N4O5S/c1-4-19-5-9-21(10-6-19)34-16-22-11-14-24(35-22)25(31)29-20-7-12-23(13-8-20)36(32,33)30-26-27-17(2)15-18(3)28-26/h5-15H,4,16H2,1-3H3,(H,29,31)(H,27,28,30)
• InChIKey: XJKUJJNFAWEVSM-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 123.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide (CID 19446559) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide is CCc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)o2)cc1.

What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is XJKUJJNFAWEVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-4-19-5-9-21(10-6-19)34-16-22-11-14-24(35-22)25(31)29-20-7-12-23(13-8-20)36(32,33)30-26-27-17(2)15-18(3)28-26/h5-15H,4,16H2,1-3H3,(H,29,31)(H,27,28,30).

What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide?

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).