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

C85H91ClN10O9S6 — CID 161177905

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

2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide (PubChem CID 161177905) has the molecular formula C85H91ClN10O9S6 and a molecular weight of 1624.58 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide
• PubChem CID: 161177905
• Molecular Formula: C85H91ClN10O9S6
• Molecular Weight: 1624.58 g/mol
• Exact Mass: 1622.50
• IUPAC Name: 2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide
• SMILES: C.C.C.C.Cc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)cc1.Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc(Cl)cc4)sc3C)ccc21.Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccncc4)sc3C)ccc21
• InChI: InChI=1S/C28H27N3O3S2.C27H24ClN3O3S2.C26H24N4O3S2.4CH4/c1-18-8-10-21(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;1-17-5-3-4-6-24(17)36(33,34)31-14-13-20-16-21(9-12-23(20)31)26-18(2)35-27(30-26)29-25(32)15-19-7-10-22(28)11-8-19;1-17-5-3-4-6-23(17)35(32,33)30-14-11-20-16-21(7-8-22(20)30)25-18(2)34-26(29-25)28-24(31)15-19-9-12-27-13-10-19;;;;/h4-13,17H,14-16H2,1-3H3,(H,29,30,32);3-12,16H,13-15H2,1-2H3,(H,29,30,32);3-10,12-13,16H,11,14-15H2,1-2H3,(H,28,29,31);4*1H4
• InChIKey: USBDHZSAKRURLJ-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 251.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.58
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide (CID 161177905) is 2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide is C.C.C.C.Cc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)cc1.Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc(Cl)cc4)sc3C)ccc21.Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccncc4)sc3C)ccc21.

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

The InChIKey is USBDHZSAKRURLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S2.C27H24ClN3O3S2.C26H24N4O3S2.4CH4/c1-18-8-10-21(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;1-17-5-3-4-6-24(17)36(33,34)31-14-13-20-16-21(9-12-23(20)31)26-18(2)35-27(30-26)29-25(32)15-19-7-10-22(28)11-8-19;1-17-5-3-4-6-23(17)35(32,33)30-14-11-20-16-21(7-8-22(20)30)25-18(2)34-26(29-25)28-24(31)15-19-9-12-27-13-10-19;;;;/h4-13,17H,14-16H2,1-3H3,(H,29,30,32);3-12,16H,13-15H2,1-2H3,(H,29,30,32);3-10,12-13,16H,11,14-15H2,1-2H3,(H,28,29,31);4*1H4.

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

2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide has a molecular weight of 1624.58 g/mol, XLogP of 18.98, 18 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;methane;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-4-ylacetamide is sourced from PubChem (CID 161177905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).