N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide

C24H23N3O4S — CID 30781467

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 30781467) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
• PubChem CID: 30781467
• Molecular Formula: C24H23N3O4S
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.14
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
• SMILES: Cn1c(=O)n(CCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c2ccccc21
• InChI: InChI=1S/C24H23N3O4S/c1-25-19-6-2-3-7-20(19)26(24(25)29)11-10-23(28)27(16-18-5-4-14-32-18)17-8-9-21-22(15-17)31-13-12-30-21/h2-9,14-15H,10-13,16H2,1H3
• InChIKey: ABWOGMCLVGLYAO-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 65.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 30781467) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is Cn1c(=O)n(CCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c2ccccc21.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?

The InChIKey is ABWOGMCLVGLYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-25-19-6-2-3-7-20(19)26(24(25)29)11-10-23(28)27(16-18-5-4-14-32-18)17-8-9-21-22(15-17)31-13-12-30-21/h2-9,14-15H,10-13,16H2,1H3.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 449.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 30781467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).