(2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

C29H32N6O4 — CID 25309067

About (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

(2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 25309067) has the molecular formula C29H32N6O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 25309067
• Molecular Formula: C29H32N6O4
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.25
• IUPAC Name: (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• SMILES: COc1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1
• InChI: InChI=1S/C29H32N6O4/c1-20-13-18-25(39-20)27(29(37)30-22-11-7-4-8-12-22)35(23-14-16-24(38-2)17-15-23)26(36)19-34-32-28(31-33-34)21-9-5-3-6-10-21/h3,5-6,9-10,13-18,22,27H,4,7-8,11-12,19H2,1-2H3,(H,30,37)/t27-/m0/s1
• InChIKey: DCHGBHSNDAWRJS-MHZLTWQESA-N
• XLogP: 4.47
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (CID 25309067) is (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is COc1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1.

What is the InChIKey of (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is DCHGBHSNDAWRJS-MHZLTWQESA-N. The full InChI is InChI=1S/C29H32N6O4/c1-20-13-18-25(39-20)27(29(37)30-22-11-7-4-8-12-22)35(23-14-16-24(38-2)17-15-23)26(36)19-34-32-28(31-33-34)21-9-5-3-6-10-21/h3,5-6,9-10,13-18,22,27H,4,7-8,11-12,19H2,1-2H3,(H,30,37)/t27-/m0/s1.

What are the key properties of (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

(2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 528.61 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 25309067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).