2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide

C32H31FN6O4 — CID 3190250

About 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide

2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3190250) has the molecular formula C32H31FN6O4 and a molecular weight of 582.64 g/mol. Its IUPAC name is 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3190250
• Molecular Formula: C32H31FN6O4
• Molecular Weight: 582.64 g/mol
• Exact Mass: 582.24
• IUPAC Name: 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide
• SMILES: COc1ccc(CNC(=O)C(c2ccc(C)o2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccc(C)cc2C)cc1
• InChI: InChI=1S/C32H31FN6O4/c1-20-5-15-27(21(2)17-20)39(29(40)19-38-36-31(35-37-38)24-9-11-25(33)12-10-24)30(28-16-6-22(3)43-28)32(41)34-18-23-7-13-26(42-4)14-8-23/h5-17,30H,18-19H2,1-4H3,(H,34,41)
• InChIKey: QEFSVKDSKBDCBJ-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.64
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide (CID 3190250) is 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide is COc1ccc(CNC(=O)C(c2ccc(C)o2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccc(C)cc2C)cc1.

What is the InChIKey of 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is QEFSVKDSKBDCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O4/c1-20-5-15-27(21(2)17-20)39(29(40)19-38-36-31(35-37-38)24-9-11-25(33)12-10-24)30(28-16-6-22(3)43-28)32(41)34-18-23-7-13-26(42-4)14-8-23/h5-17,30H,18-19H2,1-4H3,(H,34,41).

What are the key properties of 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide?

2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 582.64 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3190250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).