5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide

C19H22N2O4S — CID 26132339

About 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide

5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide (PubChem CID 26132339) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide
• PubChem CID: 26132339
• Molecular Formula: C19H22N2O4S
• Molecular Weight: 374.46 g/mol
• Exact Mass: 374.13
• IUPAC Name: 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide
• SMILES: CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1
• InChI: InChI=1S/C19H22N2O4S/c1-11(2)18(13-4-5-14-15(10-13)25-9-8-24-14)21-19(23)16-6-7-17(26-16)20-12(3)22/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,22)(H,21,23)/t18-/m1/s1
• InChIKey: UOZKCXZYGHOONK-GOSISDBHSA-N
• XLogP: 3.60
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.46
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide?

The IUPAC name of 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide (CID 26132339) is 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide?

The canonical SMILES for 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1.

What is the InChIKey of 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide?

The InChIKey is UOZKCXZYGHOONK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-11(2)18(13-4-5-14-15(10-13)25-9-8-24-14)21-19(23)16-6-7-17(26-16)20-12(3)22/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,22)(H,21,23)/t18-/m1/s1.

What are the key properties of 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide?

5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 26132339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).