N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen

C17H20IN3O4S2 — CID 159514639

About N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen

N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen (PubChem CID 159514639) has the molecular formula C17H20IN3O4S2 and a molecular weight of 521.40 g/mol. Its IUPAC name is N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
• PubChem CID: 159514639
• Molecular Formula: C17H20IN3O4S2
• Molecular Weight: 521.40 g/mol
• Exact Mass: 520.99
• IUPAC Name: N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
• SMILES: CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCc3cccc(I)c3)o2)s1.[H][H].[H][H]
• InChI: InChI=1S/C17H16IN3O4S2.2H2/c1-10-16(26-17(20-10)21-11(2)22)14-6-7-15(25-14)27(23,24)19-9-12-4-3-5-13(18)8-12;;/h3-8,19H,9H2,1-2H3,(H,20,21,22);2*1H
• InChIKey: MBALJQLTXRDLQV-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 101.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.40
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?

The IUPAC name of N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen (CID 159514639) is N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen.

What is the SMILES notation for N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?

The canonical SMILES for N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen is CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCc3cccc(I)c3)o2)s1.[H][H].[H][H].

What is the InChIKey of N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?

The InChIKey is MBALJQLTXRDLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3O4S2.2H2/c1-10-16(26-17(20-10)21-11(2)22)14-6-7-15(25-14)27(23,24)19-9-12-4-3-5-13(18)8-12;;/h3-8,19H,9H2,1-2H3,(H,20,21,22);2*1H.

What are the key properties of N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?

N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen has a molecular weight of 521.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 159514639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).