N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide

C60H50N6O4S2 — CID 123835067

About N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide

N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 123835067) has the molecular formula C60H50N6O4S2 and a molecular weight of 983.23 g/mol. Its IUPAC name is N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide
• PubChem CID: 123835067
• Molecular Formula: C60H50N6O4S2
• Molecular Weight: 983.23 g/mol
• Exact Mass: 982.33
• IUPAC Name: N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide
• SMILES: Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc5cc(-c6ccc(C)c(C(=O)N7CCc8cc(-c9nc(NC(=O)Cc%10ccccc%10)sc9C)ccc87)c6)ccc5c4)sc3C)ccc21
• InChI: InChI=1S/C60H50N6O4S2/c1-35-10-8-9-13-49(35)57(69)65-26-24-45-32-47(20-22-51(45)65)56-38(4)72-60(64-56)62-54(68)30-40-15-17-42-31-43(19-18-41(42)28-40)44-16-14-36(2)50(34-44)58(70)66-27-25-46-33-48(21-23-52(46)66)55-37(3)71-59(63-55)61-53(67)29-39-11-6-5-7-12-39/h5-23,28,31-34H,24-27,29-30H2,1-4H3,(H,61,63,67)(H,62,64,68)
• InChIKey: BCUBBMNWCYBLSG-UHFFFAOYSA-N
• XLogP: 12.76
• TPSA: 124.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.23
LogP ≤ 5	12.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide?

The IUPAC name of N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide (CID 123835067) is N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide.

What is the SMILES notation for N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide?

The canonical SMILES for N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide is Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc5cc(-c6ccc(C)c(C(=O)N7CCc8cc(-c9nc(NC(=O)Cc%10ccccc%10)sc9C)ccc87)c6)ccc5c4)sc3C)ccc21.

What is the InChIKey of N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide?

The InChIKey is BCUBBMNWCYBLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N6O4S2/c1-35-10-8-9-13-49(35)57(69)65-26-24-45-32-47(20-22-51(45)65)56-38(4)72-60(64-56)62-54(68)30-40-15-17-42-31-43(19-18-41(42)28-40)44-16-14-36(2)50(34-44)58(70)66-27-25-46-33-48(21-23-52(46)66)55-37(3)71-59(63-55)61-53(67)29-39-11-6-5-7-12-39/h5-23,28,31-34H,24-27,29-30H2,1-4H3,(H,61,63,67)(H,62,64,68).

What are the key properties of N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide?

N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 983.23 g/mol, XLogP of 12.76, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 123835067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).