N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C18H16N4O4S2 — CID 59362186

About N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 59362186) has the molecular formula C18H16N4O4S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 59362186
• Molecular Formula: C18H16N4O4S2
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.06
• IUPAC Name: N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NC(C#N)c3ccccc3)o2)s1
• InChI: InChI=1S/C18H16N4O4S2/c1-11-17(27-18(20-11)21-12(2)23)15-8-9-16(26-15)28(24,25)22-14(10-19)13-6-4-3-5-7-13/h3-9,14,22H,1-2H3,(H,20,21,23)
• InChIKey: GSBYMBXHXONSCR-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 125.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 59362186) is N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NC(C#N)c3ccccc3)o2)s1.

What is the InChIKey of N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is GSBYMBXHXONSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S2/c1-11-17(27-18(20-11)21-12(2)23)15-8-9-16(26-15)28(24,25)22-14(10-19)13-6-4-3-5-7-13/h3-9,14,22H,1-2H3,(H,20,21,23).

What are the key properties of N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 59362186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).