2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

C32H30ClN3O5S — CID 100793523

About 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (PubChem CID 100793523) has the molecular formula C32H30ClN3O5S and a molecular weight of 604.13 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
• PubChem CID: 100793523
• Molecular Formula: C32H30ClN3O5S
• Molecular Weight: 604.13 g/mol
• Exact Mass: 603.16
• IUPAC Name: 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
• SMILES: COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(Cc4cccc(Cl)c4)S(=O)(=O)c4ccc(C)cc4)cc32)cc1
• InChI: InChI=1S/C32H30ClN3O5S/c1-22-6-14-29(15-7-22)42(39,40)35(20-23-4-3-5-26(33)18-23)21-31(37)34-27-11-8-24-16-17-36(30(24)19-27)32(38)25-9-12-28(41-2)13-10-25/h3-15,18-19H,16-17,20-21H2,1-2H3,(H,34,37)
• InChIKey: ICXHYZRDDGCQTF-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.13
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (CID 100793523) is 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.

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

The canonical SMILES for 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(Cc4cccc(Cl)c4)S(=O)(=O)c4ccc(C)cc4)cc32)cc1.

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

The InChIKey is ICXHYZRDDGCQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN3O5S/c1-22-6-14-29(15-7-22)42(39,40)35(20-23-4-3-5-26(33)18-23)21-31(37)34-27-11-8-24-16-17-36(30(24)19-27)32(38)25-9-12-28(41-2)13-10-25/h3-15,18-19H,16-17,20-21H2,1-2H3,(H,34,37).

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

2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide has a molecular weight of 604.13 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is sourced from PubChem (CID 100793523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).