2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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

C122H100F23N15O6S6 — CID 158302839

About 2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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 158302839) has the molecular formula C122H100F23N15O6S6 and a molecular weight of 2501.60 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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: 158302839
• Molecular Formula: C122H100F23N15O6S6
• Molecular Weight: 2501.60 g/mol
• Exact Mass: 2499.59
• IUPAC Name: 2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)sc3c2CCCC3)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1ccccc1F
• InChI: InChI=1S/C22H19F3N2OS.C21H15F5N2OS.C21H18F3N3OS.C20H14F5N3OS.C20H15F4N3OS.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;1-12-6-2-3-7-13(12)20(28)27-17-11-25-15(10-26-17)18-14-8-4-5-9-16(14)29-19(18)21(22,23)24;21-11-5-3-6-12(22)17(11)19(29)28-15-9-26-13(8-27-15)16-10-4-1-2-7-14(10)30-18(16)20(23,24)25;21-13-7-3-1-5-11(13)19(28)27-16-10-25-14(9-26-16)17-12-6-2-4-8-15(12)29-18(17)20(22,23)24;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);2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,26,27,28);3,5-6,8-9H,1-2,4,7H2,(H,27,28,29);1,3,5,7,9-10H,2,4,6,8H2,(H,26,27,28);7-10H,3-6H2,1-2H3,(H,22,23,24)
• InChIKey: GMRZXBFLOCTSEC-UHFFFAOYSA-N
• XLogP: 34.60
• TPSA: 290.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2501.60
LogP ≤ 5	34.60
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)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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 158302839) is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)sc3c2CCCC3)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1ccccc1F.

What is the InChIKey of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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 GMRZXBFLOCTSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2OS.C21H15F5N2OS.C21H18F3N3OS.C20H14F5N3OS.C20H15F4N3OS.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;1-12-6-2-3-7-13(12)20(28)27-17-11-25-15(10-26-17)18-14-8-4-5-9-16(14)29-19(18)21(22,23)24;21-11-5-3-6-12(22)17(11)19(29)28-15-9-26-13(8-27-15)16-10-4-1-2-7-14(10)30-18(16)20(23,24)25;21-13-7-3-1-5-11(13)19(28)27-16-10-25-14(9-26-16)17-12-6-2-4-8-15(12)29-18(17)20(22,23)24;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);2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,26,27,28);3,5-6,8-9H,1-2,4,7H2,(H,27,28,29);1,3,5,7,9-10H,2,4,6,8H2,(H,26,27,28);7-10H,3-6H2,1-2H3,(H,22,23,24).

What are the key properties of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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 2501.60 g/mol, XLogP of 34.60, 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)-4,5,6,7-tetrahydro-1-benzothiophen-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)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-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 158302839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).