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

C33H40N6O4 — CID 1144494

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

(2S)-N-cyclohexyl-2-(4-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 1144494) has the molecular formula C33H40N6O4 and a molecular weight of 584.72 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(4-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclohexyl-2-(4-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 1144494
• Molecular Formula: C33H40N6O4
• Molecular Weight: 584.72 g/mol
• Exact Mass: 584.31
• IUPAC Name: (2S)-N-cyclohexyl-2-(4-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C4CCCCC4)cc3)[C@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1
• InChI: InChI=1S/C33H40N6O4/c1-22-13-19-28(42-22)31(33(41)34-26-11-7-4-8-12-26)39(27-17-15-25(16-18-27)24-9-5-3-6-10-24)30(40)21-38-36-32(35-37-38)29-20-14-23(2)43-29/h13-20,24,26,31H,3-12,21H2,1-2H3,(H,34,41)/t31-/m0/s1
• InChIKey: DSSDOZSAVYJKGN-HKBQPEDESA-N
• XLogP: 6.41
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.72
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2S)-N-cyclohexyl-2-(4-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (CID 1144494) is (2S)-N-cyclohexyl-2-(4-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

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

The canonical SMILES for (2S)-N-cyclohexyl-2-(4-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C4CCCCC4)cc3)[C@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1.

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

The InChIKey is DSSDOZSAVYJKGN-HKBQPEDESA-N. The full InChI is InChI=1S/C33H40N6O4/c1-22-13-19-28(42-22)31(33(41)34-26-11-7-4-8-12-26)39(27-17-15-25(16-18-27)24-9-5-3-6-10-24)30(40)21-38-36-32(35-37-38)29-20-14-23(2)43-29/h13-20,24,26,31H,3-12,21H2,1-2H3,(H,34,41)/t31-/m0/s1.

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

(2S)-N-cyclohexyl-2-(4-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 584.72 g/mol, XLogP of 6.41, 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-cyclohexyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 1144494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).