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

C117H91F25N18O6S6 — CID 162241738

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

2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide (PubChem CID 162241738) has the molecular formula C117H91F25N18O6S6 and a molecular weight of 2512.49 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;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]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;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide
• PubChem CID: 162241738
• Molecular Formula: C117H91F25N18O6S6
• Molecular Weight: 2512.49 g/mol
• Exact Mass: 2510.53
• IUPAC Name: 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide
• SMILES: CC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1.Cc1ccccc1C(=O)Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)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)c1c(F)cccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1ccccc1F
• InChI: InChI=1S/C21H18F3N3OS.2C20H14F5N3OS.C20H15F4N3OS.C19H12F5N3OS.C17H18F3N3OS/c1-12-6-2-3-7-13(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;2*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;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;1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,26,27,28);2*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);2,4-5,7-8H,1,3,6H2,(H,26,27,28);7-9H,3-6H2,1-2H3,(H,22,23,24)
• InChIKey: ZWUIBFAZMWGHOI-UHFFFAOYSA-N
• XLogP: 32.36
• TPSA: 329.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2512.49
LogP ≤ 5	32.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

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;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]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;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide (CID 162241738) is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]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;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]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;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide is CC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1.Cc1ccccc1C(=O)Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1.O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)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)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)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide?

The InChIKey is ZWUIBFAZMWGHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3OS.2C20H14F5N3OS.C20H15F4N3OS.C19H12F5N3OS.C17H18F3N3OS/c1-12-6-2-3-7-13(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;2*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;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;1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,26,27,28);2*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);2,4-5,7-8H,1,3,6H2,(H,26,27,28);7-9H,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;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide?

2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide has a molecular weight of 2512.49 g/mol, XLogP of 32.36, 18 rotatable bonds, 6 hydrogen bond donors, and 24 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;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]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]pyrazin-2-yl]propanamide is sourced from PubChem (CID 162241738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).