2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide

C28H26N4O3S — CID 55969040

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide (PubChem CID 55969040) has the molecular formula C28H26N4O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
• PubChem CID: 55969040
• Molecular Formula: C28H26N4O3S
• Molecular Weight: 498.61 g/mol
• Exact Mass: 498.17
• IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
• SMILES: Cn1ccnc1COc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1
• InChI: InChI=1S/C28H26N4O3S/c1-31-17-15-29-26(31)18-35-22-12-10-21(11-13-22)30-28(34)23-7-3-5-9-25(23)36-19-27(33)32-16-14-20-6-2-4-8-24(20)32/h2-13,15,17H,14,16,18-19H2,1H3,(H,30,34)
• InChIKey: ABWYTORWSGBQKJ-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?

The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide (CID 55969040) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide.

What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?

The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide is Cn1ccnc1COc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1.

What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?

The InChIKey is ABWYTORWSGBQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3S/c1-31-17-15-29-26(31)18-35-22-12-10-21(11-13-22)30-28(34)23-7-3-5-9-25(23)36-19-27(33)32-16-14-20-6-2-4-8-24(20)32/h2-13,15,17H,14,16,18-19H2,1H3,(H,30,34).

What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide has a molecular weight of 498.61 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 55969040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).