cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide

C32H29F8N3O5S — CID 122660509

About cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide

cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 122660509) has the molecular formula C32H29F8N3O5S and a molecular weight of 719.65 g/mol. Its IUPAC name is cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide
• PubChem CID: 122660509
• Molecular Formula: C32H29F8N3O5S
• Molecular Weight: 719.65 g/mol
• Exact Mass: 719.17
• IUPAC Name: cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide
• SMILES: O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCC[C@H]1C(=O)Nc1ccccc1F
• InChI: InChI=1S/C32H29F8N3O5S/c33-20-10-13-22(14-11-20)49(47,48)43-21(12-8-18-16-19(9-15-27(18)43)30(46,31(35,36)37)32(38,39)40)17-28(44)41-25-7-3-4-23(25)29(45)42-26-6-2-1-5-24(26)34/h1-2,5-6,9-11,13-16,21,23,25,46H,3-4,7-8,12,17H2,(H,41,44)(H,42,45)/t21-,23+,25-/m0/s1
• InChIKey: HHSYFOKUNYOHII-PWWKTKHKSA-N
• XLogP: 6.10
• TPSA: 115.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.65
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide (CID 122660509) is cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide is O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCC[C@H]1C(=O)Nc1ccccc1F.

What is the InChIKey of cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide?

The InChIKey is HHSYFOKUNYOHII-PWWKTKHKSA-N. The full InChI is InChI=1S/C32H29F8N3O5S/c33-20-10-13-22(14-11-20)49(47,48)43-21(12-8-18-16-19(9-15-27(18)43)30(46,31(35,36)37)32(38,39)40)17-28(44)41-25-7-3-4-23(25)29(45)42-26-6-2-1-5-24(26)34/h1-2,5-6,9-11,13-16,21,23,25,46H,3-4,7-8,12,17H2,(H,41,44)(H,42,45)/t21-,23+,25-/m0/s1.

What are the key properties of cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide?

cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 719.65 g/mol, XLogP of 6.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-N-(2-fluorophenyl)-2-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 122660509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).