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

C114H90F23N13O6S6 — CID 158375381

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

bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]propanamide (PubChem CID 158375381) has the molecular formula C114H90F23N13O6S6 and a molecular weight of 2367.41 g/mol. Its IUPAC name is bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]propanamide
• PubChem CID: 158375381
• Molecular Formula: C114H90F23N13O6S6
• Molecular Weight: 2367.41 g/mol
• Exact Mass: 2365.51
• IUPAC Name: bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]propanamide
• SMILES: CC(C)C(=O)Nc1ccc(-c2c(C(F)(F)F)sc3c2CCC3)cn1.CC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)sc3c2CCC3)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1ccccc1F
• InChI: InChI=1S/C21H17F3N2OS.2C20H13F5N2OS.C20H14F4N2OS.C17H17F3N2OS.C16H16F3N3OS/c1-12-5-2-3-6-14(12)20(27)26-17-10-9-13(11-25-17)18-15-7-4-8-16(15)28-19(18)21(22,23)24;2*21-12-4-2-5-13(22)17(12)19(28)27-15-8-7-10(9-26-15)16-11-3-1-6-14(11)29-18(16)20(23,24)25;21-14-6-2-1-4-12(14)19(27)26-16-9-8-11(10-25-16)17-13-5-3-7-15(13)28-18(17)20(22,23)24;1-9(2)16(23)22-13-7-6-10(8-21-13)14-11-4-3-5-12(11)24-15(14)17(18,19)20;1-8(2)15(23)22-12-7-20-10(6-21-12)13-9-4-3-5-11(9)24-14(13)16(17,18)19/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,25,26,27);2*2,4-5,7-9H,1,3,6H2,(H,26,27,28);1-2,4,6,8-10H,3,5,7H2,(H,25,26,27);6-9H,3-5H2,1-2H3,(H,21,22,23);6-8H,3-5H2,1-2H3,(H,21,22,23)
• InChIKey: GVCVOWKYHOLAAX-UHFFFAOYSA-N
• XLogP: 32.50
• TPSA: 264.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.41
LogP ≤ 5	32.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]propanamide (CID 158375381) is bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]propanamide.

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

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

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

The InChIKey is GVCVOWKYHOLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2OS.2C20H13F5N2OS.C20H14F4N2OS.C17H17F3N2OS.C16H16F3N3OS/c1-12-5-2-3-6-14(12)20(27)26-17-10-9-13(11-25-17)18-15-7-4-8-16(15)28-19(18)21(22,23)24;2*21-12-4-2-5-13(22)17(12)19(28)27-15-8-7-10(9-26-15)16-11-3-1-6-14(11)29-18(16)20(23,24)25;21-14-6-2-1-4-12(14)19(27)26-16-9-8-11(10-25-16)17-13-5-3-7-15(13)28-18(17)20(22,23)24;1-9(2)16(23)22-13-7-6-10(8-21-13)14-11-4-3-5-12(11)24-15(14)17(18,19)20;1-8(2)15(23)22-12-7-20-10(6-21-12)13-9-4-3-5-11(9)24-14(13)16(17,18)19/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,25,26,27);2*2,4-5,7-9H,1,3,6H2,(H,26,27,28);1-2,4,6,8-10H,3,5,7H2,(H,25,26,27);6-9H,3-5H2,1-2H3,(H,21,22,23);6-8H,3-5H2,1-2H3,(H,21,22,23).

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

bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]propanamide has a molecular weight of 2367.41 g/mol, XLogP of 32.50, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 158375381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).