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

C23H49N3O8S — CID 164557401

IUPAC2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen
SMILESCCC(C)OCC(=O)NCCOCCOCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C23H47N3O8S.H2/c1-5-22(4)34-20-23(27)24-6-12-30-14-16-32-18-19-33-17-15-31-13-11-25-7-9-26(10-8-25)35(28,29)21(2)3;/h21-22H,5-20H2,1-4H3,(H,24,27);1H
InChIKeyJQEDJXWYBULNAT-UHFFFAOYSA-N
MW527.73 g/mol
LogP0.59
Rot. Bonds21

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

2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen (PubChem CID 164557401) has the molecular formula C23H49N3O8S and a molecular weight of 527.73 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen
PubChem CID164557401
Molecular FormulaC23H49N3O8S
Molecular Weight527.73 g/mol
Exact Mass527.32
IUPAC Name2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen
SMILESCCC(C)OCC(=O)NCCOCCOCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C23H47N3O8S.H2/c1-5-22(4)34-20-23(27)24-6-12-30-14-16-32-18-19-33-17-15-31-13-11-25-7-9-26(10-8-25)35(28,29)21(2)3;/h21-22H,5-20H2,1-4H3,(H,24,27);1H
InChIKeyJQEDJXWYBULNAT-UHFFFAOYSA-N
XLogP0.59
TPSA115.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.73
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen?
The IUPAC name of 2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen (CID 164557401) is 2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen is CCC(C)OCC(=O)NCCOCCOCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.[H][H].
What is the InChIKey of 2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen?
The InChIKey is JQEDJXWYBULNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O8S.H2/c1-5-22(4)34-20-23(27)24-6-12-30-14-16-32-18-19-33-17-15-31-13-11-25-7-9-26(10-8-25)35(28,29)21(2)3;/h21-22H,5-20H2,1-4H3,(H,24,27);1H.
What are the key properties of 2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen?
2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen has a molecular weight of 527.73 g/mol, XLogP of 0.59, 21 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 164557401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).