N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide

C26H32F2N2O2S — CID 56655490

About N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide

N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide (PubChem CID 56655490) has the molecular formula C26H32F2N2O2S and a molecular weight of 474.62 g/mol. Its IUPAC name is N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide
• PubChem CID: 56655490
• Molecular Formula: C26H32F2N2O2S
• Molecular Weight: 474.62 g/mol
• Exact Mass: 474.22
• IUPAC Name: N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide
• SMILES: O=S(=O)(NCCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1cccc(F)c1)C1CCC1
• InChI: InChI=1S/C26H32F2N2O2S/c27-22-5-1-4-18(12-22)13-24-21(17-30-10-3-11-30)14-20-16-26(28)19(15-25(20)24)8-9-29-33(31,32)23-6-2-7-23/h1,4-5,12,15-16,21,23-24,29H,2-3,6-11,13-14,17H2
• InChIKey: HUSHHQREZQTVHO-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.62
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide?

The IUPAC name of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide (CID 56655490) is N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide.

What is the SMILES notation for N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide?

The canonical SMILES for N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide is O=S(=O)(NCCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1cccc(F)c1)C1CCC1.

What is the InChIKey of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide?

The InChIKey is HUSHHQREZQTVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2O2S/c27-22-5-1-4-18(12-22)13-24-21(17-30-10-3-11-30)14-20-16-26(28)19(15-25(20)24)8-9-29-33(31,32)23-6-2-7-23/h1,4-5,12,15-16,21,23-24,29H,2-3,6-11,13-14,17H2.

What are the key properties of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide?

N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide has a molecular weight of 474.62 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide is sourced from PubChem (CID 56655490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).