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

C18H39N3O7S — CID 164557290

IUPACN-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
SMILESCC(C)OCC(=O)NCCOCCOCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H]
InChIInChI=1S/C18H37N3O7S.H2/c1-17(2)28-16-18(22)19-4-10-25-12-14-27-15-13-26-11-9-20-5-7-21(8-6-20)29(3,23)24;/h17H,4-16H2,1-3H3,(H,19,22);1H
InChIKeyHPCRTKQCWFQSFC-UHFFFAOYSA-N
MW441.59 g/mol
LogP-0.60
Rot. Bonds16

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

N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen (PubChem CID 164557290) has the molecular formula C18H39N3O7S and a molecular weight of 441.59 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
PubChem CID164557290
Molecular FormulaC18H39N3O7S
Molecular Weight441.59 g/mol
Exact Mass441.25
IUPAC NameN-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
SMILESCC(C)OCC(=O)NCCOCCOCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H]
InChIInChI=1S/C18H37N3O7S.H2/c1-17(2)28-16-18(22)19-4-10-25-12-14-27-15-13-26-11-9-20-5-7-21(8-6-20)29(3,23)24;/h17H,4-16H2,1-3H3,(H,19,22);1H
InChIKeyHPCRTKQCWFQSFC-UHFFFAOYSA-N
XLogP-0.60
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 5-0.60
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 N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen?
The IUPAC name of N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen (CID 164557290) is N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen.
What is the SMILES notation for N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen?
The canonical SMILES for N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen is CC(C)OCC(=O)NCCOCCOCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H].
What is the InChIKey of N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen?
The InChIKey is HPCRTKQCWFQSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O7S.H2/c1-17(2)28-16-18(22)19-4-10-25-12-14-27-15-13-26-11-9-20-5-7-21(8-6-20)29(3,23)24;/h17H,4-16H2,1-3H3,(H,19,22);1H.
What are the key properties of N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen?
N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen has a molecular weight of 441.59 g/mol, XLogP of -0.60, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen is sourced from PubChem (CID 164557290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).