(2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide

C11H20N2O5S — CID 129145712

IUPAC(2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESCC(=O)N[C@@H](CS)C(=O)NCCOCCOCC=O
InChIInChI=1S/C11H20N2O5S/c1-9(15)13-10(8-19)11(16)12-2-4-17-6-7-18-5-3-14/h3,10,19H,2,4-8H2,1H3,(H,12,16)(H,13,15)/t10-/m0/s1
InChIKeyXAFYOFJOPZFPDC-JTQLQIEISA-N
MW292.36 g/mol
LogP-1.23
Rot. Bonds11

About (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide

(2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 129145712) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID129145712
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name(2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESCC(=O)N[C@@H](CS)C(=O)NCCOCCOCC=O
InChIInChI=1S/C11H20N2O5S/c1-9(15)13-10(8-19)11(16)12-2-4-17-6-7-18-5-3-14/h3,10,19H,2,4-8H2,1H3,(H,12,16)(H,13,15)/t10-/m0/s1
InChIKeyXAFYOFJOPZFPDC-JTQLQIEISA-N
XLogP-1.23
TPSA93.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide 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 (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide (CID 129145712) is (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide is CC(=O)N[C@@H](CS)C(=O)NCCOCCOCC=O.
What is the InChIKey of (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is XAFYOFJOPZFPDC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-9(15)13-10(8-19)11(16)12-2-4-17-6-7-18-5-3-14/h3,10,19H,2,4-8H2,1H3,(H,12,16)(H,13,15)/t10-/m0/s1.
What are the key properties of (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
(2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 292.36 g/mol, XLogP of -1.23, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 129145712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).