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

C18H37N3O6S — CID 164557065

IUPAC2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide
SMILESCC(C)OCC(=O)NCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C18H37N3O6S/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)
InChIKeyJIDAFTAYFAZNQW-UHFFFAOYSA-N
MW423.58 g/mol
LogP-0.08
Rot. Bonds14

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

2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 164557065) has the molecular formula C18H37N3O6S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide
PubChem CID164557065
Molecular FormulaC18H37N3O6S
Molecular Weight423.58 g/mol
Exact Mass423.24
IUPAC Name2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide
SMILESCC(C)OCC(=O)NCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C18H37N3O6S/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)
InChIKeyJIDAFTAYFAZNQW-UHFFFAOYSA-N
XLogP-0.08
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide (CID 164557065) is 2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 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.
What is the InChIKey of 2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is JIDAFTAYFAZNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O6S/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).
What are the key properties of 2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide?
2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 423.58 g/mol, XLogP of -0.08, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 164557065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).