N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide

C24H24N2O5S2 — CID 30805645

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide (PubChem CID 30805645) has the molecular formula C24H24N2O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide
• PubChem CID: 30805645
• Molecular Formula: C24H24N2O5S2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.11
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide
• SMILES: CN(Cc1ccc2c(c1)OCCO2)C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1
• InChI: InChI=1S/C24H24N2O5S2/c1-25(15-17-6-7-20-21(14-17)31-12-11-30-20)24(27)23-22(9-13-32-23)33(28,29)26-10-8-18-4-2-3-5-19(18)16-26/h2-7,9,13-14H,8,10-12,15-16H2,1H3
• InChIKey: UAFIVTAJNVBRDU-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 76.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide (CID 30805645) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide?

The InChIKey is UAFIVTAJNVBRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S2/c1-25(15-17-6-7-20-21(14-17)31-12-11-30-20)24(27)23-22(9-13-32-23)33(28,29)26-10-8-18-4-2-3-5-19(18)16-26/h2-7,9,13-14H,8,10-12,15-16H2,1H3.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 30805645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).