N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide

C26H32F2N4O3S — CID 138670797

About N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide

N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide (PubChem CID 138670797) has the molecular formula C26H32F2N4O3S and a molecular weight of 518.63 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide
• PubChem CID: 138670797
• Molecular Formula: C26H32F2N4O3S
• Molecular Weight: 518.63 g/mol
• Exact Mass: 518.22
• IUPAC Name: N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide
• SMILES: O=C1Cc2cccc(C(=O)NC3CCC(CCN4CCc5nc(OCC(F)F)sc5CC4)CC3)c2N1
• InChI: InChI=1S/C26H32F2N4O3S/c27-22(28)15-35-26-30-20-9-12-32(13-10-21(20)36-26)11-8-16-4-6-18(7-5-16)29-25(34)19-3-1-2-17-14-23(33)31-24(17)19/h1-3,16,18,22H,4-15H2,(H,29,34)(H,31,33)
• InChIKey: SDPSCMJWIDFOEZ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.63
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide?

The IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide (CID 138670797) is N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide.

What is the SMILES notation for N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide?

The canonical SMILES for N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide is O=C1Cc2cccc(C(=O)NC3CCC(CCN4CCc5nc(OCC(F)F)sc5CC4)CC3)c2N1.

What is the InChIKey of N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide?

The InChIKey is SDPSCMJWIDFOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O3S/c27-22(28)15-35-26-30-20-9-12-32(13-10-21(20)36-26)11-8-16-4-6-18(7-5-16)29-25(34)19-3-1-2-17-14-23(33)31-24(17)19/h1-3,16,18,22H,4-15H2,(H,29,34)(H,31,33).

What are the key properties of N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide?

N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide has a molecular weight of 518.63 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 138670797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).