molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide

C18H39N3O6S — CID 164557163

About molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide

molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 164557163) has the molecular formula C18H39N3O6S and a molecular weight of 425.59 g/mol. Its IUPAC name is molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide
• PubChem CID: 164557163
• Molecular Formula: C18H39N3O6S
• Molecular Weight: 425.59 g/mol
• Exact Mass: 425.26
• IUPAC Name: molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide
• SMILES: CC(C)OCC(=O)NCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.[H][H]
• InChI: InChI=1S/C18H37N3O6S.H2/c1-16(2)27-15-18(22)19-5-11-25-13-14-26-12-10-20-6-8-21(9-7-20)28(23,24)17(3)4;/h16-17H,5-15H2,1-4H3,(H,19,22);1H
• InChIKey: GVKPOOBGTCLLES-UHFFFAOYSA-N
• XLogP: 0.16
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.59
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide?

The IUPAC name of molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide (CID 164557163) is molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide.

What is the SMILES notation for molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide?

The canonical SMILES for molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide is CC(C)OCC(=O)NCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.[H][H].

What is the InChIKey of molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide?

The InChIKey is GVKPOOBGTCLLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O6S.H2/c1-16(2)27-15-18(22)19-5-11-25-13-14-26-12-10-20-6-8-21(9-7-20)28(23,24)17(3)4;/h16-17H,5-15H2,1-4H3,(H,19,22);1H.

What are the key properties of molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide?

molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 425.59 g/mol, XLogP of 0.16, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 164557163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).