2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide

C119H94F23N15O6S6 — CID 159270813

About 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide

2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide (PubChem CID 159270813) has the molecular formula C119H94F23N15O6S6 and a molecular weight of 2459.52 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide
• PubChem CID: 159270813
• Molecular Formula: C119H94F23N15O6S6
• Molecular Weight: 2459.52 g/mol
• Exact Mass: 2457.55
• IUPAC Name: 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide
• SMILES: CC(C)C(=O)Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1.Cc1ccccc1C(=O)Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1ccccc1F
• InChI: InChI=1S/C22H19F3N2OS.C21H15F5N2OS.C20H16F3N3OS.C19H12F5N3OS.C19H13F4N3OS.C18H19F3N2OS/c1-13-6-2-3-7-15(13)21(28)27-18-11-10-14(12-26-18)19-16-8-4-5-9-17(16)29-20(19)22(23,24)25;22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26;1-11-5-2-3-6-12(11)19(27)26-16-10-24-14(9-25-16)17-13-7-4-8-15(13)28-18(17)20(21,22)23;20-10-4-2-5-11(21)16(10)18(28)27-14-8-25-12(7-26-14)15-9-3-1-6-13(9)29-17(15)19(22,23)24;20-12-6-2-1-4-10(12)18(27)26-15-9-24-13(8-25-15)16-11-5-3-7-14(11)28-17(16)19(21,22)23;1-10(2)17(24)23-14-8-7-11(9-22-14)15-12-5-3-4-6-13(12)25-16(15)18(19,20)21/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,26,27,28);3,5-6,8-10H,1-2,4,7H2,(H,27,28,29);2-3,5-6,9-10H,4,7-8H2,1H3,(H,25,26,27);2,4-5,7-8H,1,3,6H2,(H,26,27,28);1-2,4,6,8-9H,3,5,7H2,(H,25,26,27);7-10H,3-6H2,1-2H3,(H,22,23,24)
• InChIKey: KXRNITSMFQVWSQ-UHFFFAOYSA-N
• XLogP: 33.43
• TPSA: 290.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2459.52
LogP ≤ 5	33.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide?

The IUPAC name of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide (CID 159270813) is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide?

The canonical SMILES for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide is CC(C)C(=O)Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1.Cc1ccccc1C(=O)Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1ccccc1F.

What is the InChIKey of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide?

The InChIKey is KXRNITSMFQVWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2OS.C21H15F5N2OS.C20H16F3N3OS.C19H12F5N3OS.C19H13F4N3OS.C18H19F3N2OS/c1-13-6-2-3-7-15(13)21(28)27-18-11-10-14(12-26-18)19-16-8-4-5-9-17(16)29-20(19)22(23,24)25;22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26;1-11-5-2-3-6-12(11)19(27)26-16-10-24-14(9-25-16)17-13-7-4-8-15(13)28-18(17)20(21,22)23;20-10-4-2-5-11(21)16(10)18(28)27-14-8-25-12(7-26-14)15-9-3-1-6-13(9)29-17(15)19(22,23)24;20-12-6-2-1-4-10(12)18(27)26-15-9-24-13(8-25-15)16-11-5-3-7-14(11)28-17(16)19(21,22)23;1-10(2)17(24)23-14-8-7-11(9-22-14)15-12-5-3-4-6-13(12)25-16(15)18(19,20)21/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,26,27,28);3,5-6,8-10H,1-2,4,7H2,(H,27,28,29);2-3,5-6,9-10H,4,7-8H2,1H3,(H,25,26,27);2,4-5,7-8H,1,3,6H2,(H,26,27,28);1-2,4,6,8-9H,3,5,7H2,(H,25,26,27);7-10H,3-6H2,1-2H3,(H,22,23,24).

What are the key properties of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide?

2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide has a molecular weight of 2459.52 g/mol, XLogP of 33.43, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 159270813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).