3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C22H24N2O4S — CID 15997280

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 15997280) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
• PubChem CID: 15997280
• Molecular Formula: C22H24N2O4S
• Molecular Weight: 412.51 g/mol
• Exact Mass: 412.15
• IUPAC Name: 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3c4ccccc4CC3C)ccc21
• InChI: InChI=1S/C22H24N2O4S/c1-15-13-17-5-3-4-6-21(17)24(15)22(26)10-12-29(27,28)19-7-8-20-18(14-19)9-11-23(20)16(2)25/h3-8,14-15H,9-13H2,1-2H3
• InChIKey: IENOYXJDVPVOGT-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.51
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?

The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 15997280) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?

The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3c4ccccc4CC3C)ccc21.

What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?

The InChIKey is IENOYXJDVPVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15-13-17-5-3-4-6-21(17)24(15)22(26)10-12-29(27,28)19-7-8-20-18(14-19)9-11-23(20)16(2)25/h3-8,14-15H,9-13H2,1-2H3.

What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 412.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 15997280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).