(2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

C25H28N6O4 — CID 25310940

About (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

(2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (PubChem CID 25310940) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

Molecular Properties

• Compound Name: (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• PubChem CID: 25310940
• Molecular Formula: C25H28N6O4
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.22
• IUPAC Name: (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• SMILES: Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccco2)c1
• InChI: InChI=1S/C25H28N6O4/c1-16-8-6-9-18(14-16)31(22(19-10-7-13-34-19)24(33)26-25(3,4)5)21(32)15-30-28-23(27-29-30)20-12-11-17(2)35-20/h6-14,22H,15H2,1-5H3,(H,26,33)/t22-/m0/s1
• InChIKey: NOCAWKAXTNHRLS-QFIPXVFZSA-N
• XLogP: 3.83
• 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	476.54
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The IUPAC name of (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (CID 25310940) is (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

What is the SMILES notation for (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The canonical SMILES for (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccco2)c1.

What is the InChIKey of (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The InChIKey is NOCAWKAXTNHRLS-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-16-8-6-9-18(14-16)31(22(19-10-7-13-34-19)24(33)26-25(3,4)5)21(32)15-30-28-23(27-29-30)20-12-11-17(2)35-20/h6-14,22H,15H2,1-5H3,(H,26,33)/t22-/m0/s1.

What are the key properties of (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

(2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide has a molecular weight of 476.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is sourced from PubChem (CID 25310940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).