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

C19H39N3O7S — CID 167136477

IUPACN-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCCS(=O)(=O)N1CCN(CCOCCOCCOCCNC(=O)COC(C)C)CC1
InChIInChI=1S/C19H39N3O7S/c1-4-30(24,25)22-8-6-21(7-9-22)10-12-27-14-16-28-15-13-26-11-5-20-19(23)17-29-18(2)3/h18H,4-17H2,1-3H3,(H,20,23)
InChIKeyKRBUXCCONFCAJK-UHFFFAOYSA-N
MW453.60 g/mol
LogP-0.46
Rot. Bonds17

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

N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 167136477) has the molecular formula C19H39N3O7S and a molecular weight of 453.60 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
PubChem CID167136477
Molecular FormulaC19H39N3O7S
Molecular Weight453.60 g/mol
Exact Mass453.25
IUPAC NameN-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCCS(=O)(=O)N1CCN(CCOCCOCCOCCNC(=O)COC(C)C)CC1
InChIInChI=1S/C19H39N3O7S/c1-4-30(24,25)22-8-6-21(7-9-22)10-12-27-14-16-28-15-13-26-11-5-20-19(23)17-29-18(2)3/h18H,4-17H2,1-3H3,(H,20,23)
InChIKeyKRBUXCCONFCAJK-UHFFFAOYSA-N
XLogP-0.46
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.60
LogP ≤ 5-0.46
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-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide (CID 167136477) is N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide is CCS(=O)(=O)N1CCN(CCOCCOCCOCCNC(=O)COC(C)C)CC1.
What is the InChIKey of N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is KRBUXCCONFCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O7S/c1-4-30(24,25)22-8-6-21(7-9-22)10-12-27-14-16-28-15-13-26-11-5-20-19(23)17-29-18(2)3/h18H,4-17H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[2-[2-[2-(4-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 453.60 g/mol, XLogP of -0.46, 17 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-ethylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 167136477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).