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

C14H29N3O5S — CID 167136480

IUPACN-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O5S/c1-13(2)22-12-14(18)15-4-10-21-11-9-16-5-7-17(8-6-16)23(3,19)20/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyHWXSDNRPMOYMNO-UHFFFAOYSA-N
MW351.47 g/mol
LogP-0.88
Rot. Bonds10

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

N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 167136480) has the molecular formula C14H29N3O5S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide
PubChem CID167136480
Molecular FormulaC14H29N3O5S
Molecular Weight351.47 g/mol
Exact Mass351.18
IUPAC NameN-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O5S/c1-13(2)22-12-14(18)15-4-10-21-11-9-16-5-7-17(8-6-16)23(3,19)20/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyHWXSDNRPMOYMNO-UHFFFAOYSA-N
XLogP-0.88
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide (CID 167136480) is N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is HWXSDNRPMOYMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O5S/c1-13(2)22-12-14(18)15-4-10-21-11-9-16-5-7-17(8-6-16)23(3,19)20/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 351.47 g/mol, XLogP of -0.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 167136480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).