2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide

C26H27N5O2S — CID 3198138

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide (PubChem CID 3198138) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide.

Molecular Properties

• Compound Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide
• PubChem CID: 3198138
• Molecular Formula: C26H27N5O2S
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.19
• IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide
• SMILES: Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1ccsc1
• InChI: InChI=1S/C26H27N5O2S/c1-18-8-2-6-12-22(18)31(24(32)16-30-23-13-7-5-11-21(23)28-29-30)25(19-14-15-34-17-19)26(33)27-20-9-3-4-10-20/h2,5-8,11-15,17,20,25H,3-4,9-10,16H2,1H3,(H,27,33)
• InChIKey: KEHMWAMITUTBCJ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide?

The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide (CID 3198138) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide.

What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide?

The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide is Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1ccsc1.

What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide?

The InChIKey is KEHMWAMITUTBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-18-8-2-6-12-22(18)31(24(32)16-30-23-13-7-5-11-21(23)28-29-30)25(19-14-15-34-17-19)26(33)27-20-9-3-4-10-20/h2,5-8,11-15,17,20,25H,3-4,9-10,16H2,1H3,(H,27,33).

What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide?

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide has a molecular weight of 473.60 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 3198138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).