ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

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

ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 164557141) has the molecular formula C24H51N3O7S and a molecular weight of 525.75 g/mol. Its IUPAC name is ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name	ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID	164557141
Molecular Formula	C24H51N3O7S
Molecular Weight	525.75 g/mol
Exact Mass	525.34
IUPAC Name	ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILES	CC.CC(C)OCC(=O)NCCOCCOCCOCCOCCN1CCN(S(=O)C(C)C)CC1
InChI	InChI=1S/C22H45N3O7S.C2H6/c1-20(2)32-19-22(26)23-5-11-28-13-15-30-17-18-31-16-14-29-12-10-24-6-8-25(9-7-24)33(27)21(3)4;1-2/h20-21H,5-19H2,1-4H3,(H,23,26);1-2H3
InChIKey	MUHRCZMNYBHOJM-UHFFFAOYSA-N
XLogP	1.31
TPSA	98.80 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	20
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.75
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 164557141) is ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

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

The canonical SMILES for ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is CC.CC(C)OCC(=O)NCCOCCOCCOCCOCCN1CCN(S(=O)C(C)C)CC1.

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

The InChIKey is MUHRCZMNYBHOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O7S.C2H6/c1-20(2)32-19-22(26)23-5-11-28-13-15-30-17-18-31-16-14-29-12-10-24-6-8-25(9-7-24)33(27)21(3)4;1-2/h20-21H,5-19H2,1-4H3,(H,23,26);1-2H3.

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

ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 525.75 g/mol, XLogP of 1.31, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 164557141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).