N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide

C72H79N7O4S — CID 158028979

About N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide

N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide (PubChem CID 158028979) has the molecular formula C72H79N7O4S and a molecular weight of 1138.54 g/mol. Its IUPAC name is N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide
• PubChem CID: 158028979
• Molecular Formula: C72H79N7O4S
• Molecular Weight: 1138.54 g/mol
• Exact Mass: 1137.59
• IUPAC Name: N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide
• SMILES: O=C(Nc1ccc2[nH]cc(C3CCN4CCCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2scc(C3CCC4CCCCN4CC3)c2c1)c1ccccc1
• InChI: InChI=1S/C25H28N2OS.C24H27N3O.C23H24N2O2/c28-25(19-6-2-1-3-7-19)26-20-10-12-24-22(16-20)23(17-29-24)18-9-11-21-8-4-5-14-27(21)15-13-18;28-24(17-6-2-1-3-7-17)26-19-9-10-23-21(15-19)22(16-25-23)18-11-13-27-12-5-4-8-20(27)14-18;26-23(16-5-2-1-3-6-16)24-18-8-9-22-20(14-18)21(15-27-22)17-10-12-25-11-4-7-19(25)13-17/h1-3,6-7,10,12,16-18,21H,4-5,8-9,11,13-15H2,(H,26,28);1-3,6-7,9-10,15-16,18,20,25H,4-5,8,11-14H2,(H,26,28);1-3,5-6,8-9,14-15,17,19H,4,7,10-13H2,(H,24,26)
• InChIKey: FGYKDKCQRWJENG-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 125.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1138.54
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide?

The IUPAC name of N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide (CID 158028979) is N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide.

What is the SMILES notation for N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide?

The canonical SMILES for N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide is O=C(Nc1ccc2[nH]cc(C3CCN4CCCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2scc(C3CCC4CCCCN4CC3)c2c1)c1ccccc1.

What is the InChIKey of N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide?

The InChIKey is FGYKDKCQRWJENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2OS.C24H27N3O.C23H24N2O2/c28-25(19-6-2-1-3-7-19)26-20-10-12-24-22(16-20)23(17-29-24)18-9-11-21-8-4-5-14-27(21)15-13-18;28-24(17-6-2-1-3-7-17)26-19-9-10-23-21(15-19)22(16-25-23)18-11-13-27-12-5-4-8-20(27)14-18;26-23(16-5-2-1-3-6-16)24-18-8-9-22-20(14-18)21(15-27-22)17-10-12-25-11-4-7-19(25)13-17/h1-3,6-7,10,12,16-18,21H,4-5,8-9,11,13-15H2,(H,26,28);1-3,6-7,9-10,15-16,18,20,25H,4-5,8,11-14H2,(H,26,28);1-3,5-6,8-9,14-15,17,19H,4,7,10-13H2,(H,24,26).

What are the key properties of N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide?

N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide has a molecular weight of 1138.54 g/mol, XLogP of 16.45, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]benzamide;N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide is sourced from PubChem (CID 158028979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).