N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide

C23H24FN3O4S2 — CID 89493793

About N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide

N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 89493793) has the molecular formula C23H24FN3O4S2 and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
• PubChem CID: 89493793
• Molecular Formula: C23H24FN3O4S2
• Molecular Weight: 489.59 g/mol
• Exact Mass: 489.12
• IUPAC Name: N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
• SMILES: COc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1NS(=O)(=O)c1ccc(F)cc1
• InChI: InChI=1S/C23H24FN3O4S2/c1-14-21(32-23(25-14)26-22(28)15-5-3-4-6-15)16-7-12-20(31-2)19(13-16)27-33(29,30)18-10-8-17(24)9-11-18/h7-13,15,27H,3-6H2,1-2H3,(H,25,26,28)
• InChIKey: MLEQHYLSBCKQEM-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.59
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?

The IUPAC name of N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 89493793) is N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide.

What is the SMILES notation for N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?

The canonical SMILES for N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide is COc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1NS(=O)(=O)c1ccc(F)cc1.

What is the InChIKey of N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?

The InChIKey is MLEQHYLSBCKQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S2/c1-14-21(32-23(25-14)26-22(28)15-5-3-4-6-15)16-7-12-20(31-2)19(13-16)27-33(29,30)18-10-8-17(24)9-11-18/h7-13,15,27H,3-6H2,1-2H3,(H,25,26,28).

What are the key properties of N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?

N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 489.59 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 89493793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).