methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide

C112H119N15O12S8 — CID 158674976

About methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide

methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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 158674976) has the molecular formula C112H119N15O12S8 and a molecular weight of 2123.81 g/mol. Its IUPAC name is methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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: methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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: 158674976
• Molecular Formula: C112H119N15O12S8
• Molecular Weight: 2123.81 g/mol
• Exact Mass: 2121.69
• IUPAC Name: methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
• SMILES: C.C.C.C.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)n1.Cc1cccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)n1.Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccnc4)sc3C)ccc21
• InChI: InChI=1S/C28H27N3O3S2.2C27H26N4O3S2.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;2*1-17-7-4-5-10-24(17)36(33,34)31-14-13-20-15-21(11-12-23(20)31)26-19(3)35-27(30-26)29-25(32)16-22-9-6-8-18(2)28-22;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;;;;/h4-13,17H,14-16H2,1-3H3,(H,29,30,32);2*4-12,15H,13-14,16H2,1-3H3,(H,29,30,32);3-10,12,15-16H,11,13-14H2,1-2H3,(H,28,29,31);4*1H4
• InChIKey: IEKBTVUNMTXDQU-UHFFFAOYSA-N
• XLogP: 23.09
• TPSA: 356.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.81
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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 methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (CID 158674976) is methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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 methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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 methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide is C.C.C.C.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)n1.Cc1cccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3C)c(C)s2)n1.Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccnc4)sc3C)ccc21.

What is the InChIKey of methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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 IEKBTVUNMTXDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S2.2C27H26N4O3S2.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;2*1-17-7-4-5-10-24(17)36(33,34)31-14-13-20-15-21(11-12-23(20)31)26-19(3)35-27(30-26)29-25(32)16-22-9-6-8-18(2)28-22;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;;;;/h4-13,17H,14-16H2,1-3H3,(H,29,30,32);2*4-12,15H,13-14,16H2,1-3H3,(H,29,30,32);3-10,12,15-16H,11,13-14H2,1-2H3,(H,28,29,31);4*1H4.

What are the key properties of methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)acetamide);N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?

methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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 2123.81 g/mol, XLogP of 23.09, 24 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide;bis(N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(6-methyl-2-pyridinyl)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 158674976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).