2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C28H37N3O5S — CID 162522034

About 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 162522034) has the molecular formula C28H37N3O5S and a molecular weight of 527.69 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
• PubChem CID: 162522034
• Molecular Formula: C28H37N3O5S
• Molecular Weight: 527.69 g/mol
• Exact Mass: 527.25
• IUPAC Name: 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
• SMILES: O=C(CC1CCCC1)NCCOCCOCCOCCNc1ccc(-c2nc3ccc(O)cc3s2)cc1
• InChI: InChI=1S/C28H37N3O5S/c32-24-9-10-25-26(20-24)37-28(31-25)22-5-7-23(8-6-22)29-11-13-34-15-17-36-18-16-35-14-12-30-27(33)19-21-3-1-2-4-21/h5-10,20-21,29,32H,1-4,11-19H2,(H,30,33)
• InChIKey: RJCPYVUIVFSEEA-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 101.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.69
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The IUPAC name of 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 162522034) is 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

What is the SMILES notation for 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The canonical SMILES for 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide is O=C(CC1CCCC1)NCCOCCOCCOCCNc1ccc(-c2nc3ccc(O)cc3s2)cc1.

What is the InChIKey of 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The InChIKey is RJCPYVUIVFSEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5S/c32-24-9-10-25-26(20-24)37-28(31-25)22-5-7-23(8-6-22)29-11-13-34-15-17-36-18-16-35-14-12-30-27(33)19-21-3-1-2-4-21/h5-10,20-21,29,32H,1-4,11-19H2,(H,30,33).

What are the key properties of 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 527.69 g/mol, XLogP of 4.83, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 162522034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).