1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone

C24H24N2O3S2 — CID 55508346

About 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone

1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 55508346) has the molecular formula C24H24N2O3S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 55508346
• Molecular Formula: C24H24N2O3S2
• Molecular Weight: 452.60 g/mol
• Exact Mass: 452.12
• IUPAC Name: 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)N3CCc4sccc4C3c3ccccc3)cc2CC1C
• InChI: InChI=1S/C24H24N2O3S2/c1-16-14-19-15-20(8-9-22(19)26(16)17(2)27)31(28,29)25-12-10-23-21(11-13-30-23)24(25)18-6-4-3-5-7-18/h3-9,11,13,15-16,24H,10,12,14H2,1-2H3
• InChIKey: CPBKUXUSZAQSAV-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 57.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.60
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone (CID 55508346) is 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccc(S(=O)(=O)N3CCc4sccc4C3c3ccccc3)cc2CC1C.

What is the InChIKey of 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is CPBKUXUSZAQSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S2/c1-16-14-19-15-20(8-9-22(19)26(16)17(2)27)31(28,29)25-12-10-23-21(11-13-30-23)24(25)18-6-4-3-5-7-18/h3-9,11,13,15-16,24H,10,12,14H2,1-2H3.

What are the key properties of 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone?

1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 452.60 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 55508346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).