N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide

C27H27FN6O2S — CID 3190125

About N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide

N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide (PubChem CID 3190125) has the molecular formula C27H27FN6O2S and a molecular weight of 518.62 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
• PubChem CID: 3190125
• Molecular Formula: C27H27FN6O2S
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.19
• IUPAC Name: N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
• SMILES: Cc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CCCC2)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C27H27FN6O2S/c1-18-8-14-22(15-9-18)34(24(35)17-33-31-26(30-32-33)23-7-4-16-37-23)25(19-10-12-20(28)13-11-19)27(36)29-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17H2,1H3,(H,29,36)
• InChIKey: YTZGINIEZOECAZ-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide?

The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide (CID 3190125) is N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide.

What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide?

The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide is Cc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CCCC2)c2ccc(F)cc2)cc1.

What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide?

The InChIKey is YTZGINIEZOECAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2S/c1-18-8-14-22(15-9-18)34(24(35)17-33-31-26(30-32-33)23-7-4-16-37-23)25(19-10-12-20(28)13-11-19)27(36)29-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17H2,1H3,(H,29,36).

What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide?

N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide has a molecular weight of 518.62 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide is sourced from PubChem (CID 3190125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).