[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate

C26H19BrN2O7S2 — CID 25037312

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate (PubChem CID 25037312) has the molecular formula C26H19BrN2O7S2 and a molecular weight of 615.48 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate.

Molecular Properties

• Compound Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
• PubChem CID: 25037312
• Molecular Formula: C26H19BrN2O7S2
• Molecular Weight: 615.48 g/mol
• Exact Mass: 613.98
• IUPAC Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
• SMILES: COc1cc2c(cc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1)oc1ccccc12
• InChI: InChI=1S/C26H19BrN2O7S2/c1-34-22-12-17-15-6-3-5-9-20(15)36-21(17)13-19(22)28-24(30)14-35-26(31)16-7-2-4-8-18(16)29-38(32,33)25-11-10-23(27)37-25/h2-13,29H,14H2,1H3,(H,28,30)
• InChIKey: PUVLCBMOZXGGMX-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 123.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.48
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?

The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate (CID 25037312) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate.

What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?

The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate is COc1cc2c(cc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1)oc1ccccc12.

What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?

The InChIKey is PUVLCBMOZXGGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN2O7S2/c1-34-22-12-17-15-6-3-5-9-20(15)36-21(17)13-19(22)28-24(30)14-35-26(31)16-7-2-4-8-18(16)29-38(32,33)25-11-10-23(27)37-25/h2-13,29H,14H2,1H3,(H,28,30).

What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate has a molecular weight of 615.48 g/mol, XLogP of 6.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate is sourced from PubChem (CID 25037312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).