(6S)-5-[[(1R,4R)-3-deuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-6-(1,1-dideuteriopropan-2-yl)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-5-[[(1R,4R)-3,3-dideuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide
C104H128F12N12O16S8 — CID 158817426
Data last refreshed: (MolForge compound catalog, from PubChem)
About (6S)-5-[[(1R,4R)-3-deuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-6-(1,1-dideuteriopropan-2-yl)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-5-[[(1R,4R)-3,3-dideuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide
(6S)-5-[[(1R,4R)-3-deuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-6-(1,1-dideuteriopropan-2-yl)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-5-[[(1R,4R)-3,3-dideuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 158817426) has the molecular formula C104H128F12N12O16S8 and a molecular weight of 2297.82 g/mol. Its IUPAC name is (6S)-5-[[(1R,4R)-3-deuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-6-(1,1-dideuteriopropan-2-yl)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-5-[[(1R,4R)-3,3-dideuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide.
Molecular Properties
| Compound Name | (6S)-5-[[(1R,4R)-3-deuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-6-(1,1-dideuteriopropan-2-yl)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-5-[[(1R,4R)-3,3-dideuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide |
|---|---|
| PubChem CID | 158817426 |
| Molecular Formula | C104H128F12N12O16S8 |
| Molecular Weight | 2297.82 g/mol |
| Exact Mass | 2295.78 |
| IUPAC Name | (6S)-5-[[(1R,4R)-3-deuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-6-(1,1-dideuteriopropan-2-yl)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-5-[[(1R,4R)-3,3-dideuterio-4-(trifluoromethyl)cyclohexyl]methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-propan-2-yl-6H-thieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-oxo-6-(1,1,1-trideuteriopropan-2-yl)-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-6H-thieno[2,3-c]pyrrole-2-carboxamide |
| SMILES | [2H]C([2H])([2H])C(C)[C@H]1c2sc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)cc2C(=O)N1CC1CCC(C(F)(F)F)CC1.[2H]C([2H])C(C)[C@H]1c2sc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)cc2C(=O)N1CC1CCC(C(F)(F)F)CC1.[2H]C1([2H])C[C@H](CN2C(=O)c3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)sc3[C@@H]2C(C)C)CC[C@H]1C(F)(F)F.[2H]C1C[C@H](CN2C(=O)c3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)sc3[C@@H]2C(C)C([2H])([2H])[2H])CC[C@H]1C(F)(F)F |
| InChI | InChI=1S/4C26H32F3N3O4S2/c4*1-4-38(35,36)19-10-9-18(30-13-19)12-31-24(33)21-11-20-23(37-21)22(15(2)3)32(25(20)34)14-16-5-7-17(8-6-16)26(27,28)29/h4*9-11,13,15-17,22H,4-8,12,14H2,1-3H3,(H,31,33)/t2*16?,17?,22-;2*16-,17-,22-/m0000/s1/i2D3;2D2;2D3,7D;7D2/t2*15?,16?,17?,22-;7?,15?,16-,17-,22-;m |
| InChIKey | IVLBBPGTTNNESW-FZZGAJBESA-N |
| XLogP | 21.55 |
| TPSA | 385.76 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 152 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2297.82 |
| LogP ≤ 5 | 21.55 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158817426 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.