1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone

C22H24N2O3S — CID 20853150

About 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone

1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 20853150) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 20853150
• Molecular Formula: C22H24N2O3S
• Molecular Weight: 396.51 g/mol
• Exact Mass: 396.15
• IUPAC Name: 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)cc2CC1C
• InChI: InChI=1S/C22H24N2O3S/c1-16-14-20-15-21(8-9-22(20)24(16)17(2)25)28(26,27)23-12-10-19(11-13-23)18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3
• InChIKey: HWCJPNLCWYXSHR-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.51
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone (CID 20853150) is 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)cc2CC1C.

What is the InChIKey of 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is HWCJPNLCWYXSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16-14-20-15-21(8-9-22(20)24(16)17(2)25)28(26,27)23-12-10-19(11-13-23)18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3.

What are the key properties of 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone?

1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 396.51 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 20853150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).