(2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

C24H25FN6O3S — CID 25306348

About (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

(2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 25306348) has the molecular formula C24H25FN6O3S and a molecular weight of 496.57 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 25306348
• Molecular Formula: C24H25FN6O3S
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.17
• IUPAC Name: (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3cccs3)n2)c2ccccc2F)o1
• InChI: InChI=1S/C24H25FN6O3S/c1-15-11-12-18(34-15)21(23(33)26-24(2,3)4)31(17-9-6-5-8-16(17)25)20(32)14-30-28-22(27-29-30)19-10-7-13-35-19/h5-13,21H,14H2,1-4H3,(H,26,33)/t21-/m1/s1
• InChIKey: KJMXOXNMDUIKOD-OAQYLSRUSA-N
• XLogP: 4.13
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.57
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-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (CID 25306348) is (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3cccs3)n2)c2ccccc2F)o1.

What is the InChIKey of (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is KJMXOXNMDUIKOD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25FN6O3S/c1-15-11-12-18(34-15)21(23(33)26-24(2,3)4)31(17-9-6-5-8-16(17)25)20(32)14-30-28-22(27-29-30)19-10-7-13-35-19/h5-13,21H,14H2,1-4H3,(H,26,33)/t21-/m1/s1.

What are the key properties of (2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

(2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 496.57 g/mol, XLogP of 4.13, 7 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-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 25306348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).