N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide

C30H33N3O3S — CID 3191185

About N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3191185) has the molecular formula C30H33N3O3S and a molecular weight of 515.68 g/mol. Its IUPAC name is N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
• PubChem CID: 3191185
• Molecular Formula: C30H33N3O3S
• Molecular Weight: 515.68 g/mol
• Exact Mass: 515.22
• IUPAC Name: N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
• SMILES: COc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2c[nH]c3ccccc23)c1
• InChI: InChI=1S/C30H33N3O3S/c1-36-23-12-7-9-21(17-23)20-33(28(34)18-24-13-8-16-37-24)29(30(35)32-22-10-3-2-4-11-22)26-19-31-27-15-6-5-14-25(26)27/h5-9,12-17,19,22,29,31H,2-4,10-11,18,20H2,1H3,(H,32,35)
• InChIKey: NMMZHVIUDLHWFL-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 74.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.68
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide?

The IUPAC name of N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3191185) is N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

What is the SMILES notation for N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide?

The canonical SMILES for N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2c[nH]c3ccccc23)c1.

What is the InChIKey of N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide?

The InChIKey is NMMZHVIUDLHWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3S/c1-36-23-12-7-9-21(17-23)20-33(28(34)18-24-13-8-16-37-24)29(30(35)32-22-10-3-2-4-11-22)26-19-31-27-15-6-5-14-25(26)27/h5-9,12-17,19,22,29,31H,2-4,10-11,18,20H2,1H3,(H,32,35).

What are the key properties of N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide?

N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 515.68 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3191185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).