2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide

C14H29NO5S2 — CID 176734976

IUPAC2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
SMILESCC(C)SCCOCC(=O)NCCOCCS(=O)(=O)C(C)C
InChIInChI=1S/C14H29NO5S2/c1-12(2)21-9-7-20-11-14(16)15-5-6-19-8-10-22(17,18)13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyXNUSNSCVNZTGAS-UHFFFAOYSA-N
MW355.52 g/mol
LogP1.10
Rot. Bonds13

About 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide

2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide (PubChem CID 176734976) has the molecular formula C14H29NO5S2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
PubChem CID176734976
Molecular FormulaC14H29NO5S2
Molecular Weight355.52 g/mol
Exact Mass355.15
IUPAC Name2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
SMILESCC(C)SCCOCC(=O)NCCOCCS(=O)(=O)C(C)C
InChIInChI=1S/C14H29NO5S2/c1-12(2)21-9-7-20-11-14(16)15-5-6-19-8-10-22(17,18)13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyXNUSNSCVNZTGAS-UHFFFAOYSA-N
XLogP1.10
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide 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 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The IUPAC name of 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide (CID 176734976) is 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide is CC(C)SCCOCC(=O)NCCOCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The InChIKey is XNUSNSCVNZTGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5S2/c1-12(2)21-9-7-20-11-14(16)15-5-6-19-8-10-22(17,18)13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide has a molecular weight of 355.52 g/mol, XLogP of 1.10, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide is sourced from PubChem (CID 176734976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).