2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide

C28H28F3N3O6S — CID 118113021

About 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide

2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide (PubChem CID 118113021) has the molecular formula C28H28F3N3O6S and a molecular weight of 591.61 g/mol. Its IUPAC name is 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide
• PubChem CID: 118113021
• Molecular Formula: C28H28F3N3O6S
• Molecular Weight: 591.61 g/mol
• Exact Mass: 591.17
• IUPAC Name: 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide
• SMILES: COc1cccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ncco4)cc3C3(CCC(O)(C(F)(F)F)CC3)C2C2CC2)c1
• InChI: InChI=1S/C28H28F3N3O6S/c1-39-19-3-2-4-20(16-19)41(37,38)34-22-8-7-18(24(35)33-25-32-13-14-40-25)15-21(22)26(23(34)17-5-6-17)9-11-27(36,12-10-26)28(29,30)31/h2-4,7-8,13-17,23,36H,5-6,9-12H2,1H3,(H,32,33,35)
• InChIKey: KAKFMOQFFMDHPS-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 121.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.61
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide?

The IUPAC name of 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide (CID 118113021) is 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide.

What is the SMILES notation for 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide?

The canonical SMILES for 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide is COc1cccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ncco4)cc3C3(CCC(O)(C(F)(F)F)CC3)C2C2CC2)c1.

What is the InChIKey of 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide?

The InChIKey is KAKFMOQFFMDHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O6S/c1-39-19-3-2-4-20(16-19)41(37,38)34-22-8-7-18(24(35)33-25-32-13-14-40-25)15-21(22)26(23(34)17-5-6-17)9-11-27(36,12-10-26)28(29,30)31/h2-4,7-8,13-17,23,36H,5-6,9-12H2,1H3,(H,32,33,35).

What are the key properties of 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide?

2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide has a molecular weight of 591.61 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-4'-hydroxy-1-(3-methoxyphenyl)sulfonyl-N-(1,3-oxazol-2-yl)-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide is sourced from PubChem (CID 118113021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).