N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

C24H32N4O4S — CID 1166066

About N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 1166066) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
• PubChem CID: 1166066
• Molecular Formula: C24H32N4O4S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.21
• IUPAC Name: N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
• SMILES: O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)C1CCCC1)NC1CCCCC1
• InChI: InChI=1S/C24H32N4O4S/c29-21(25-18-9-3-1-4-10-18)15-28(19-11-7-8-12-19)23(30)17-33-24-27-26-22(32-24)16-31-20-13-5-2-6-14-20/h2,5-6,13-14,18-19H,1,3-4,7-12,15-17H2,(H,25,29)
• InChIKey: KULLESZQGIXSIR-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?

The IUPAC name of N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (CID 1166066) is N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.

What is the SMILES notation for N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?

The canonical SMILES for N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)C1CCCC1)NC1CCCCC1.

What is the InChIKey of N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?

The InChIKey is KULLESZQGIXSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c29-21(25-18-9-3-1-4-10-18)15-28(19-11-7-8-12-19)23(30)17-33-24-27-26-22(32-24)16-31-20-13-5-2-6-14-20/h2,5-6,13-14,18-19H,1,3-4,7-12,15-17H2,(H,25,29).

What are the key properties of N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?

N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 472.61 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[cyclopentyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 1166066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).