N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide

C26H27N3O5S — CID 73130821

About N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide

N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide (PubChem CID 73130821) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide
• PubChem CID: 73130821
• Molecular Formula: C26H27N3O5S
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.17
• IUPAC Name: N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide
• SMILES: O=C(COc1ccccc1)N1CC2CC(C1)c1ccc(NS(=O)(=O)Cc3ccccc3)c(=O)n1C2
• InChI: InChI=1S/C26H27N3O5S/c30-25(17-34-22-9-5-2-6-10-22)28-14-20-13-21(16-28)24-12-11-23(26(31)29(24)15-20)27-35(32,33)18-19-7-3-1-4-8-19/h1-12,20-21,27H,13-18H2
• InChIKey: NHHSMHGLZSICGY-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 97.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide?

The IUPAC name of N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide (CID 73130821) is N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide.

What is the SMILES notation for N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide?

The canonical SMILES for N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide is O=C(COc1ccccc1)N1CC2CC(C1)c1ccc(NS(=O)(=O)Cc3ccccc3)c(=O)n1C2.

What is the InChIKey of N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide?

The InChIKey is NHHSMHGLZSICGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c30-25(17-34-22-9-5-2-6-10-22)28-14-20-13-21(16-28)24-12-11-23(26(31)29(24)15-20)27-35(32,33)18-19-7-3-1-4-8-19/h1-12,20-21,27H,13-18H2.

What are the key properties of N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide?

N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 73130821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).