N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

C23H26N2O6S — CID 3244735

About N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 3244735) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
• PubChem CID: 3244735
• Molecular Formula: C23H26N2O6S
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.15
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
• SMILES: CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)cc2CC1C
• InChI: InChI=1S/C23H26N2O6S/c1-3-23(27)25-15(2)10-17-12-18(5-6-19(17)25)32(28,29)9-8-22(26)24-13-16-4-7-20-21(11-16)31-14-30-20/h4-7,11-12,15H,3,8-10,13-14H2,1-2H3,(H,24,26)
• InChIKey: QLFRFISDVZCQTD-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 102.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 3244735) is N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)cc2CC1C.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The InChIKey is QLFRFISDVZCQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-3-23(27)25-15(2)10-17-12-18(5-6-19(17)25)32(28,29)9-8-22(26)24-13-16-4-7-20-21(11-16)31-14-30-20/h4-7,11-12,15H,3,8-10,13-14H2,1-2H3,(H,24,26).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 458.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 3244735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).