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

C27H25FN4O5S — CID 167993185

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

N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide (PubChem CID 167993185) has the molecular formula C27H25FN4O5S and a molecular weight of 536.59 g/mol. Its IUPAC name is N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide
• PubChem CID: 167993185
• Molecular Formula: C27H25FN4O5S
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.15
• IUPAC Name: N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide
• SMILES: Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1F
• InChI: InChI=1S/C27H25FN4O5S/c1-17-6-7-18(14-22(17)28)16-38(36,37)30-20-8-9-23-19(15-20)10-12-31(23)25(33)11-13-32-24-5-3-2-4-21(24)26(34)29-27(32)35/h2-9,14-15,30H,10-13,16H2,1H3,(H,29,34,35)
• InChIKey: IYARIKJEKKCWAO-UHFFFAOYSA-N
• XLogP: 3.06
• 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	536.59
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide (CID 167993185) is N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide.

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

The canonical SMILES for N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1F.

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

The InChIKey is IYARIKJEKKCWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O5S/c1-17-6-7-18(14-22(17)28)16-38(36,37)30-20-8-9-23-19(15-20)10-12-31(23)25(33)11-13-32-24-5-3-2-4-21(24)26(34)29-27(32)35/h2-9,14-15,30H,10-13,16H2,1H3,(H,29,34,35).

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

N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide has a molecular weight of 536.59 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 167993185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).