(2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide

C24H25FN6O4 — CID 25311014

About (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide

(2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide (PubChem CID 25311014) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
• PubChem CID: 25311014
• Molecular Formula: C24H25FN6O4
• Molecular Weight: 480.50 g/mol
• Exact Mass: 480.19
• IUPAC Name: (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1
• InChI: InChI=1S/C24H25FN6O4/c1-15-7-12-19(35-15)22-27-29-30(28-22)14-20(32)31(17-10-8-16(25)9-11-17)21(18-6-5-13-34-18)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33)/t21-/m1/s1
• InChIKey: RFTMGHUHMQJRFQ-OAQYLSRUSA-N
• XLogP: 3.66
• TPSA: 119.29 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	480.50
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?

The IUPAC name of (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide (CID 25311014) is (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?

The canonical SMILES for (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1.

What is the InChIKey of (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?

The InChIKey is RFTMGHUHMQJRFQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-15-7-12-19(35-15)22-27-29-30(28-22)14-20(32)31(17-10-8-16(25)9-11-17)21(18-6-5-13-34-18)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33)/t21-/m1/s1.

What are the key properties of (2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?

(2R)-N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide has a molecular weight of 480.50 g/mol, XLogP of 3.66, 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-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide is sourced from PubChem (CID 25311014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).