2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

C33H33N3O6S — CID 100797695

About 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (PubChem CID 100797695) has the molecular formula C33H33N3O6S and a molecular weight of 599.71 g/mol. Its IUPAC name is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
• PubChem CID: 100797695
• Molecular Formula: C33H33N3O6S
• Molecular Weight: 599.71 g/mol
• Exact Mass: 599.21
• IUPAC Name: 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
• SMILES: CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)Cc2ccccc2)cc1
• InChI: InChI=1S/C33H33N3O6S/c1-3-42-29-15-17-30(18-16-29)43(39,40)35(22-24-7-5-4-6-8-24)23-32(37)34-27-12-9-25-19-20-36(31(25)21-27)33(38)26-10-13-28(41-2)14-11-26/h4-18,21H,3,19-20,22-23H2,1-2H3,(H,34,37)
• InChIKey: RGAFRIFDKYTACT-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.71
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?

The IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (CID 100797695) is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.

What is the SMILES notation for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?

The canonical SMILES for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)Cc2ccccc2)cc1.

What is the InChIKey of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?

The InChIKey is RGAFRIFDKYTACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O6S/c1-3-42-29-15-17-30(18-16-29)43(39,40)35(22-24-7-5-4-6-8-24)23-32(37)34-27-12-9-25-19-20-36(31(25)21-27)33(38)26-10-13-28(41-2)14-11-26/h4-18,21H,3,19-20,22-23H2,1-2H3,(H,34,37).

What are the key properties of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide has a molecular weight of 599.71 g/mol, XLogP of 5.13, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is sourced from PubChem (CID 100797695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).