5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C22H18ClN3O5S2 — CID 19416952

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 19416952) has the molecular formula C22H18ClN3O5S2 and a molecular weight of 503.99 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
• PubChem CID: 19416952
• Molecular Formula: C22H18ClN3O5S2
• Molecular Weight: 503.99 g/mol
• Exact Mass: 503.04
• IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
• SMILES: Cc1cc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)ccc1Cl
• InChI: InChI=1S/C22H18ClN3O5S2/c1-14-12-16(4-8-19(14)23)30-13-17-5-9-20(31-17)21(27)25-15-2-6-18(7-3-15)33(28,29)26-22-24-10-11-32-22/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
• InChIKey: BRCWLDZYZBEPHA-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 110.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.99
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 19416952) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)ccc1Cl.

What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?

The InChIKey is BRCWLDZYZBEPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S2/c1-14-12-16(4-8-19(14)23)30-13-17-5-9-20(31-17)21(27)25-15-2-6-18(7-3-15)33(28,29)26-22-24-10-11-32-22/h2-12H,13H2,1H3,(H,24,26)(H,25,27).

What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?

5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 503.99 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19416952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).