N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide

C11H21NO4S — CID 59575663

IUPACN-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESCCC(=O)COCCOCCNC(=O)CCS
InChIInChI=1S/C11H21NO4S/c1-2-10(13)9-16-7-6-15-5-4-12-11(14)3-8-17/h17H,2-9H2,1H3,(H,12,14)
InChIKeyBEDCMEWLUIOCII-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.43
Rot. Bonds11

About N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide

N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 59575663) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID59575663
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESCCC(=O)COCCOCCNC(=O)CCS
InChIInChI=1S/C11H21NO4S/c1-2-10(13)9-16-7-6-15-5-4-12-11(14)3-8-17/h17H,2-9H2,1H3,(H,12,14)
InChIKeyBEDCMEWLUIOCII-UHFFFAOYSA-N
XLogP0.43
TPSA64.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
CID 167242596
N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
CID 169679788
N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
CID 169951785
N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide
CID 164575858
mPEG-Thiol
CID 107027119
Dibutyl thiodiglycolamate
CID 177866590
2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide
CID 101101893
N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 23187016
N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 57182546
3-(methylsulfamoyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 57740861
N-[2-(2-ethoxyethoxy)ethyl]-2-(2-oxobutoxy)acetamide
CID 57841548
[1-(2-Methoxyethoxy)-1-oxopropan-2-yl] 2-acetamido-4-sulfanylbutanoate
CID 57901329

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide (CID 59575663) is N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide is CCC(=O)COCCOCCNC(=O)CCS.
What is the InChIKey of N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is BEDCMEWLUIOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-10(13)9-16-7-6-15-5-4-12-11(14)3-8-17/h17H,2-9H2,1H3,(H,12,14).
What are the key properties of N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 263.36 g/mol, XLogP of 0.43, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 59575663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).