2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide

C26H26ClN5O2S — CID 3198133

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

2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide (PubChem CID 3198133) has the molecular formula C26H26ClN5O2S and a molecular weight of 508.05 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide.

Molecular Properties

• Compound Name: 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
• PubChem CID: 3198133
• Molecular Formula: C26H26ClN5O2S
• Molecular Weight: 508.05 g/mol
• Exact Mass: 507.15
• IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
• SMILES: O=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21
• InChI: InChI=1S/C26H26ClN5O2S/c27-21-10-4-1-7-18(21)15-31(24(33)16-32-23-12-6-5-11-22(23)29-30-32)25(19-13-14-35-17-19)26(34)28-20-8-2-3-9-20/h1,4-7,10-14,17,20,25H,2-3,8-9,15-16H2,(H,28,34)
• InChIKey: DWCZFHPLOJBORR-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.05
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide (CID 3198133) is 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide.

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

The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide is O=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21.

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

The InChIKey is DWCZFHPLOJBORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2S/c27-21-10-4-1-7-18(21)15-31(24(33)16-32-23-12-6-5-11-22(23)29-30-32)25(19-13-14-35-17-19)26(34)28-20-8-2-3-9-20/h1,4-7,10-14,17,20,25H,2-3,8-9,15-16H2,(H,28,34).

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

2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide has a molecular weight of 508.05 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 3198133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).