2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide

C24H29N3O6S — CID 3241785

IUPAC2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C24H29N3O6S/c1-15(2)12-20(24(29)25-18-4-7-22-23(14-18)33-11-10-32-22)26-34(30,31)19-5-6-21-17(13-19)8-9-27(21)16(3)28/h4-7,13-15,20,26H,8-12H2,1-3H3,(H,25,29)
InChIKeyHTJYWTIFUQFTTG-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.70
Rot. Bonds7

About 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide (PubChem CID 3241785) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
PubChem CID3241785
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C24H29N3O6S/c1-15(2)12-20(24(29)25-18-4-7-22-23(14-18)33-11-10-32-22)26-34(30,31)19-5-6-21-17(13-19)8-9-27(21)16(3)28/h4-7,13-15,20,26H,8-12H2,1-3H3,(H,25,29)
InChIKeyHTJYWTIFUQFTTG-UHFFFAOYSA-N
XLogP2.70
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide (CID 3241785) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide?
The InChIKey is HTJYWTIFUQFTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-15(2)12-20(24(29)25-18-4-7-22-23(14-18)33-11-10-32-22)26-34(30,31)19-5-6-21-17(13-19)8-9-27(21)16(3)28/h4-7,13-15,20,26H,8-12H2,1-3H3,(H,25,29).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide?
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide has a molecular weight of 487.58 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide is sourced from PubChem (CID 3241785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).