1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide

C28H28N4O5S — CID 167824850

About 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide

1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide (PubChem CID 167824850) has the molecular formula C28H28N4O5S and a molecular weight of 532.62 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide
• PubChem CID: 167824850
• Molecular Formula: C28H28N4O5S
• Molecular Weight: 532.62 g/mol
• Exact Mass: 532.18
• IUPAC Name: 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide
• SMILES: Cc1cc(C)cc(CS(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1
• InChI: InChI=1S/C28H28N4O5S/c1-18-13-19(2)15-20(14-18)17-38(36,37)30-22-7-8-24-21(16-22)9-11-31(24)26(33)10-12-32-25-6-4-3-5-23(25)27(34)29-28(32)35/h3-8,13-16,30H,9-12,17H2,1-2H3,(H,29,34,35)
• InChIKey: RYWSVZMDNUQRBI-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 121.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.62
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide?

The IUPAC name of 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide (CID 167824850) is 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide.

What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide?

The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide is Cc1cc(C)cc(CS(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1.

What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide?

The InChIKey is RYWSVZMDNUQRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5S/c1-18-13-19(2)15-20(14-18)17-38(36,37)30-22-7-8-24-21(16-22)9-11-31(24)26(33)10-12-32-25-6-4-3-5-23(25)27(34)29-28(32)35/h3-8,13-16,30H,9-12,17H2,1-2H3,(H,29,34,35).

What are the key properties of 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide?

1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide has a molecular weight of 532.62 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide is sourced from PubChem (CID 167824850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).