N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C22H18ClFN4O4S2 — CID 87606189

About N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87606189) has the molecular formula C22H18ClFN4O4S2 and a molecular weight of 521.00 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 87606189
• Molecular Formula: C22H18ClFN4O4S2
• Molecular Weight: 521.00 g/mol
• Exact Mass: 520.04
• IUPAC Name: N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(S(=O)(=O)N(Cc2cc(=O)[nH]c3c(F)cccc23)c2cccc(Cl)c2)s1
• InChI: InChI=1S/C22H18ClFN4O4S2/c1-12-21(33-22(25-12)26-13(2)29)34(31,32)28(16-6-3-5-15(23)10-16)11-14-9-19(30)27-20-17(14)7-4-8-18(20)24/h3-10H,11H2,1-2H3,(H,27,30)(H,25,26,29)
• InChIKey: ZLNXPQXVGPJFJL-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 112.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.00
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 87606189) is N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)N(Cc2cc(=O)[nH]c3c(F)cccc23)c2cccc(Cl)c2)s1.

What is the InChIKey of N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is ZLNXPQXVGPJFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O4S2/c1-12-21(33-22(25-12)26-13(2)29)34(31,32)28(16-6-3-5-15(23)10-16)11-14-9-19(30)27-20-17(14)7-4-8-18(20)24/h3-10H,11H2,1-2H3,(H,27,30)(H,25,26,29).

What are the key properties of N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 521.00 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-chlorophenyl)-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87606189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).