2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide

C25H25Cl2N3O2S — CID 142538915

About 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide

2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 142538915) has the molecular formula C25H25Cl2N3O2S and a molecular weight of 502.47 g/mol. Its IUPAC name is 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 142538915
• Molecular Formula: C25H25Cl2N3O2S
• Molecular Weight: 502.47 g/mol
• Exact Mass: 501.10
• IUPAC Name: 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: CCOC(C)(C)c1csc(NC(=O)Cc2cn(Cc3ccccc3Cl)c3ccc(Cl)cc23)n1
• InChI: InChI=1S/C25H25Cl2N3O2S/c1-4-32-25(2,3)22-15-33-24(28-22)29-23(31)11-17-14-30(13-16-7-5-6-8-20(16)27)21-10-9-18(26)12-19(17)21/h5-10,12,14-15H,4,11,13H2,1-3H3,(H,28,29,31)
• InChIKey: NYNVDKGKYKWXEA-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.47
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide (CID 142538915) is 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide is CCOC(C)(C)c1csc(NC(=O)Cc2cn(Cc3ccccc3Cl)c3ccc(Cl)cc23)n1.

What is the InChIKey of 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is NYNVDKGKYKWXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O2S/c1-4-32-25(2,3)22-15-33-24(28-22)29-23(31)11-17-14-30(13-16-7-5-6-8-20(16)27)21-10-9-18(26)12-19(17)21/h5-10,12,14-15H,4,11,13H2,1-3H3,(H,28,29,31).

What are the key properties of 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide?

2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 502.47 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-1-[(2-chlorophenyl)methyl]indol-3-yl]-N-[4-(2-ethoxypropan-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142538915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).