(2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide

C25H26F5N3O5S — CID 122662267

About (2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide

(2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 122662267) has the molecular formula C25H26F5N3O5S and a molecular weight of 575.56 g/mol. Its IUPAC name is (2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide
• PubChem CID: 122662267
• Molecular Formula: C25H26F5N3O5S
• Molecular Weight: 575.56 g/mol
• Exact Mass: 575.15
• IUPAC Name: (2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide
• SMILES: NC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CCc2cc(C(O)(CF)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1
• InChI: InChI=1S/C25H26F5N3O5S/c26-14-24(36,25(28,29)30)16-4-10-20-15(12-16)3-7-18(13-22(34)32-11-1-2-21(32)23(31)35)33(20)39(37,38)19-8-5-17(27)6-9-19/h4-6,8-10,12,18,21,36H,1-3,7,11,13-14H2,(H2,31,35)/t18-,21+,24?/m0/s1
• InChIKey: UKDDHAKCSHGUTR-XIYCMYMWSA-N
• XLogP: 2.92
• TPSA: 121.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.56
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide (CID 122662267) is (2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for (2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CCc2cc(C(O)(CF)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1.

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

The InChIKey is UKDDHAKCSHGUTR-XIYCMYMWSA-N. The full InChI is InChI=1S/C25H26F5N3O5S/c26-14-24(36,25(28,29)30)16-4-10-20-15(12-16)3-7-18(13-22(34)32-11-1-2-21(32)23(31)35)33(20)39(37,38)19-8-5-17(27)6-9-19/h4-6,8-10,12,18,21,36H,1-3,7,11,13-14H2,(H2,31,35)/t18-,21+,24?/m0/s1.

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

(2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 575.56 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122662267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).