(2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide

C26H30N6O5 — CID 25310787

About (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide

(2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide (PubChem CID 25310787) has the molecular formula C26H30N6O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 25310787
• Molecular Formula: C26H30N6O5
• Molecular Weight: 506.56 g/mol
• Exact Mass: 506.23
• IUPAC Name: (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
• InChI: InChI=1S/C26H30N6O5/c1-17-8-13-21(37-17)24-28-30-32(29-24)16-22(33)31(15-20-7-6-14-36-20)23(25(34)27-26(2,3)4)18-9-11-19(35-5)12-10-18/h6-14,23H,15-16H2,1-5H3,(H,27,34)/t23-/m0/s1
• InChIKey: PUBDUOYJEMNZSJ-QHCPKHFHSA-N
• XLogP: 3.53
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.56
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide (CID 25310787) is (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide is COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1.

What is the InChIKey of (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide?

The InChIKey is PUBDUOYJEMNZSJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N6O5/c1-17-8-13-21(37-17)24-28-30-32(29-24)16-22(33)31(15-20-7-6-14-36-20)23(25(34)27-26(2,3)4)18-9-11-19(35-5)12-10-18/h6-14,23H,15-16H2,1-5H3,(H,27,34)/t23-/m0/s1.

What are the key properties of (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide?

(2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 506.56 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 25310787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).