N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C18H18N4O5S2 — CID 27538589

About N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 27538589) has the molecular formula C18H18N4O5S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 27538589
• Molecular Formula: C18H18N4O5S2
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.07
• IUPAC Name: N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1
• InChI: InChI=1S/C18H18N4O5S2/c19-29(25,26)14-5-3-12(4-6-14)7-8-20-16(23)10-13-11-28-18(21-13)22-17(24)15-2-1-9-27-15/h1-6,9,11H,7-8,10H2,(H,20,23)(H2,19,25,26)(H,21,22,24)
• InChIKey: CVSJXQURCJDMHE-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 144.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 27538589) is N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1.

What is the InChIKey of N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is CVSJXQURCJDMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S2/c19-29(25,26)14-5-3-12(4-6-14)7-8-20-16(23)10-13-11-28-18(21-13)22-17(24)15-2-1-9-27-15/h1-6,9,11H,7-8,10H2,(H,20,23)(H2,19,25,26)(H,21,22,24).

What are the key properties of N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 27538589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).