N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide

C16H33N3O6S — CID 167136350

IUPACN-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCOCCOCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H33N3O6S/c1-15(2)25-14-16(20)17-4-10-23-12-13-24-11-9-18-5-7-19(8-6-18)26(3,21)22/h15H,4-14H2,1-3H3,(H,17,20)
InChIKeyJTTWEUAGXOMRMR-UHFFFAOYSA-N
MW395.52 g/mol
LogP-0.86
Rot. Bonds13

About N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide

N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 167136350) has the molecular formula C16H33N3O6S and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
PubChem CID167136350
Molecular FormulaC16H33N3O6S
Molecular Weight395.52 g/mol
Exact Mass395.21
IUPAC NameN-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCOCCOCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H33N3O6S/c1-15(2)25-14-16(20)17-4-10-23-12-13-24-11-9-18-5-7-19(8-6-18)26(3,21)22/h15H,4-14H2,1-3H3,(H,17,20)
InChIKeyJTTWEUAGXOMRMR-UHFFFAOYSA-N
XLogP-0.86
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 5-0.86
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 N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide (CID 167136350) is N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCOCCOCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is JTTWEUAGXOMRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O6S/c1-15(2)25-14-16(20)17-4-10-23-12-13-24-11-9-18-5-7-19(8-6-18)26(3,21)22/h15H,4-14H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 395.52 g/mol, XLogP of -0.86, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 167136350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).