N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide

C25H23F3N6O3S — CID 3190133

About N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide

N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide (PubChem CID 3190133) has the molecular formula C25H23F3N6O3S and a molecular weight of 544.56 g/mol. Its IUPAC name is N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
• PubChem CID: 3190133
• Molecular Formula: C25H23F3N6O3S
• Molecular Weight: 544.56 g/mol
• Exact Mass: 544.15
• IUPAC Name: N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
• SMILES: O=C(NC1CCCC1)C(c1ccco1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C25H23F3N6O3S/c26-25(27,28)17-9-3-4-10-18(17)34(21(35)15-33-31-23(30-32-33)20-12-6-14-38-20)22(19-11-5-13-37-19)24(36)29-16-7-1-2-8-16/h3-6,9-14,16,22H,1-2,7-8,15H2,(H,29,36)
• InChIKey: FECWMFBXYCNUEK-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.56
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide?

The IUPAC name of N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide (CID 3190133) is N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide.

What is the SMILES notation for N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide?

The canonical SMILES for N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide is O=C(NC1CCCC1)C(c1ccco1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F.

What is the InChIKey of N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide?

The InChIKey is FECWMFBXYCNUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3S/c26-25(27,28)17-9-3-4-10-18(17)34(21(35)15-33-31-23(30-32-33)20-12-6-14-38-20)22(19-11-5-13-37-19)24(36)29-16-7-1-2-8-16/h3-6,9-14,16,22H,1-2,7-8,15H2,(H,29,36).

What are the key properties of N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide?

N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide has a molecular weight of 544.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 3190133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).