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

C20H41N3O7S — CID 167136349

IUPAC2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(C)OCC(=O)NCCOCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C20H41N3O7S/c1-18(2)30-17-20(24)21-5-11-27-13-15-29-16-14-28-12-10-22-6-8-23(9-7-22)31(25,26)19(3)4/h18-19H,5-17H2,1-4H3,(H,21,24)
InChIKeyASBBGZLBHODFHD-UHFFFAOYSA-N
MW467.63 g/mol
LogP-0.07
Rot. Bonds17

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

2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 167136349) has the molecular formula C20H41N3O7S and a molecular weight of 467.63 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID167136349
Molecular FormulaC20H41N3O7S
Molecular Weight467.63 g/mol
Exact Mass467.27
IUPAC Name2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(C)OCC(=O)NCCOCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C20H41N3O7S/c1-18(2)30-17-20(24)21-5-11-27-13-15-29-16-14-28-12-10-22-6-8-23(9-7-22)31(25,26)19(3)4/h18-19H,5-17H2,1-4H3,(H,21,24)
InChIKeyASBBGZLBHODFHD-UHFFFAOYSA-N
XLogP-0.07
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 167136349) is 2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide is CC(C)OCC(=O)NCCOCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is ASBBGZLBHODFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O7S/c1-18(2)30-17-20(24)21-5-11-27-13-15-29-16-14-28-12-10-22-6-8-23(9-7-22)31(25,26)19(3)4/h18-19H,5-17H2,1-4H3,(H,21,24).
What are the key properties of 2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 467.63 g/mol, XLogP of -0.07, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 167136349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).