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

C18H43N3O5S — CID 170639056

IUPACethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
SMILESCC.CC.CC(C)OCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H]
InChIInChI=1S/C14H29N3O5S.2C2H6.H2/c1-13(2)22-12-14(18)15-4-10-21-11-9-16-5-7-17(8-6-16)23(3,19)20;2*1-2;/h13H,4-12H2,1-3H3,(H,15,18);2*1-2H3;1H
InChIKeyVPMCIVCEANEFTN-UHFFFAOYSA-N
MW413.63 g/mol
LogP1.42
Rot. Bonds10

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

ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen (PubChem CID 170639056) has the molecular formula C18H43N3O5S and a molecular weight of 413.63 g/mol. Its IUPAC name is ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
PubChem CID170639056
Molecular FormulaC18H43N3O5S
Molecular Weight413.63 g/mol
Exact Mass413.29
IUPAC Nameethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
SMILESCC.CC.CC(C)OCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H]
InChIInChI=1S/C14H29N3O5S.2C2H6.H2/c1-13(2)22-12-14(18)15-4-10-21-11-9-16-5-7-17(8-6-16)23(3,19)20;2*1-2;/h13H,4-12H2,1-3H3,(H,15,18);2*1-2H3;1H
InChIKeyVPMCIVCEANEFTN-UHFFFAOYSA-N
XLogP1.42
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen?
The IUPAC name of ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen (CID 170639056) is ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen?
The canonical SMILES for ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen is CC.CC.CC(C)OCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H].
What is the InChIKey of ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen?
The InChIKey is VPMCIVCEANEFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O5S.2C2H6.H2/c1-13(2)22-12-14(18)15-4-10-21-11-9-16-5-7-17(8-6-16)23(3,19)20;2*1-2;/h13H,4-12H2,1-3H3,(H,15,18);2*1-2H3;1H.
What are the key properties of ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen?
ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen has a molecular weight of 413.63 g/mol, XLogP of 1.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen is sourced from PubChem (CID 170639056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).