2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide

C24H21N5O4S — CID 3206178

About 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 3206178) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 3206178
• Molecular Formula: C24H21N5O4S
• Molecular Weight: 475.53 g/mol
• Exact Mass: 475.13
• IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
• SMILES: O=C(NCc1ccco1)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21
• InChI: InChI=1S/C24H21N5O4S/c30-22(16-29-20-9-2-1-8-19(20)26-27-29)28(15-18-7-5-13-34-18)23(21-10-4-12-33-21)24(31)25-14-17-6-3-11-32-17/h1-13,23H,14-16H2,(H,25,31)
• InChIKey: OUTABHCYBVWDGM-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 106.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.53
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide (CID 3206178) is 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide is O=C(NCc1ccco1)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21.

What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?

The InChIKey is OUTABHCYBVWDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c30-22(16-29-20-9-2-1-8-19(20)26-27-29)28(15-18-7-5-13-34-18)23(21-10-4-12-33-21)24(31)25-14-17-6-3-11-32-17/h1-13,23H,14-16H2,(H,25,31).

What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?

2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 475.53 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3206178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).