(2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide

C25H27FN6O3S — CID 25311366

About (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide

(2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide (PubChem CID 25311366) has the molecular formula C25H27FN6O3S and a molecular weight of 510.60 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
• PubChem CID: 25311366
• Molecular Formula: C25H27FN6O3S
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.18
• IUPAC Name: (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1
• InChI: InChI=1S/C25H27FN6O3S/c1-16-11-12-19(35-16)23-28-30-32(29-23)15-21(33)31(14-17-8-5-6-9-18(17)26)22(20-10-7-13-36-20)24(34)27-25(2,3)4/h5-13,22H,14-15H2,1-4H3,(H,27,34)/t22-/m0/s1
• InChIKey: MCKMSXNLQOOEHO-QFIPXVFZSA-N
• XLogP: 4.13
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?

The IUPAC name of (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide (CID 25311366) is (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?

The canonical SMILES for (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1.

What is the InChIKey of (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?

The InChIKey is MCKMSXNLQOOEHO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27FN6O3S/c1-16-11-12-19(35-16)23-28-30-32(29-23)15-21(33)31(14-17-8-5-6-9-18(17)26)22(20-10-7-13-36-20)24(34)27-25(2,3)4/h5-13,22H,14-15H2,1-4H3,(H,27,34)/t22-/m0/s1.

What are the key properties of (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?

(2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide has a molecular weight of 510.60 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 25311366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).