bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide

C110H105N13O12S8 — CID 159719249

About bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide

bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (PubChem CID 159719249) has the molecular formula C110H105N13O12S8 and a molecular weight of 2057.66 g/mol. Its IUPAC name is bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
• PubChem CID: 159719249
• Molecular Formula: C110H105N13O12S8
• Molecular Weight: 2057.66 g/mol
• Exact Mass: 2055.58
• IUPAC Name: bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
• SMILES: Cc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)cc1.Cc1cccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)c1.Cc1cccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)c1.Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccnc4)sc3C)ccc21
• InChI: InChI=1S/3C28H27N3O3S2.C26H24N4O3S2/c2*1-18-7-6-9-21(15-18)16-26(32)29-28-30-27(20(3)35-28)23-11-12-24-22(17-23)13-14-31(24)36(33,34)25-10-5-4-8-19(25)2;1-18-8-10-21(11-9-18)16-26(32)29-28-30-27(20(3)35-28)23-12-13-24-22(17-23)14-15-31(24)36(33,34)25-7-5-4-6-19(25)2;1-17-6-3-4-8-23(17)35(32,33)30-13-11-20-15-21(9-10-22(20)30)25-18(2)34-26(29-25)28-24(31)14-19-7-5-12-27-16-19/h2*4-12,15,17H,13-14,16H2,1-3H3,(H,29,30,32);4-13,17H,14-16H2,1-3H3,(H,29,30,32);3-10,12,15-16H,11,13-14H2,1-2H3,(H,28,29,31)
• InChIKey: MZUZZRMBYGKXBL-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 330.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2057.66
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?

The IUPAC name of bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (CID 159719249) is bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?

The canonical SMILES for bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide is Cc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)cc1.Cc1cccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)c1.Cc1cccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)c1.Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccnc4)sc3C)ccc21.

What is the InChIKey of bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?

The InChIKey is MZUZZRMBYGKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H27N3O3S2.C26H24N4O3S2/c2*1-18-7-6-9-21(15-18)16-26(32)29-28-30-27(20(3)35-28)23-11-12-24-22(17-23)13-14-31(24)36(33,34)25-10-5-4-8-19(25)2;1-18-8-10-21(11-9-18)16-26(32)29-28-30-27(20(3)35-28)23-12-13-24-22(17-23)14-15-31(24)36(33,34)25-7-5-4-6-19(25)2;1-17-6-3-4-8-23(17)35(32,33)30-13-11-20-15-21(9-10-22(20)30)25-18(2)34-26(29-25)28-24(31)14-19-7-5-12-27-16-19/h2*4-12,15,17H,13-14,16H2,1-3H3,(H,29,30,32);4-13,17H,14-16H2,1-3H3,(H,29,30,32);3-10,12,15-16H,11,13-14H2,1-2H3,(H,28,29,31).

What are the key properties of bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?

bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide has a molecular weight of 2057.66 g/mol, XLogP of 21.76, 24 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 159719249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).