(2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide

C30H33N3O3S — CID 25309369

About (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide

(2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 25309369) has the molecular formula C30H33N3O3S and a molecular weight of 515.68 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide
• PubChem CID: 25309369
• Molecular Formula: C30H33N3O3S
• Molecular Weight: 515.68 g/mol
• Exact Mass: 515.22
• IUPAC Name: (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide
• SMILES: CCOc1cccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1
• InChI: InChI=1S/C30H33N3O3S/c1-2-36-24-13-8-12-23(19-24)33(28(34)18-21-20-31-26-15-7-6-14-25(21)26)29(27-16-9-17-37-27)30(35)32-22-10-4-3-5-11-22/h6-9,12-17,19-20,22,29,31H,2-5,10-11,18H2,1H3,(H,32,35)/t29-/m0/s1
• InChIKey: ZBNUJDOXWAXCSH-LJAQVGFWSA-N
• XLogP: 6.39
• 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	6.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide?

The IUPAC name of (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide (CID 25309369) is (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide.

What is the SMILES notation for (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide?

The canonical SMILES for (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide is CCOc1cccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1.

What is the InChIKey of (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide?

The InChIKey is ZBNUJDOXWAXCSH-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H33N3O3S/c1-2-36-24-13-8-12-23(19-24)33(28(34)18-21-20-31-26-15-7-6-14-25(21)26)29(27-16-9-17-37-27)30(35)32-22-10-4-3-5-11-22/h6-9,12-17,19-20,22,29,31H,2-5,10-11,18H2,1H3,(H,32,35)/t29-/m0/s1.

What are the key properties of (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide?

(2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 515.68 g/mol, XLogP of 6.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 25309369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).