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

C15H29NO7S — CID 57182546

IUPACN-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
SMILESO=CCOCCOCCOCCOCCOCCNC(=O)CCS
InChIInChI=1S/C15H29NO7S/c17-3-5-20-7-9-22-11-13-23-12-10-21-8-6-19-4-2-16-15(18)1-14-24/h3,24H,1-2,4-14H2,(H,16,18)
InChIKeyFSNNWRJDWNECAX-UHFFFAOYSA-N
MW367.46 g/mol
LogP-0.30
Rot. Bonds19

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

N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 57182546) has the molecular formula C15H29NO7S and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID57182546
Molecular FormulaC15H29NO7S
Molecular Weight367.46 g/mol
Exact Mass367.17
IUPAC NameN-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
SMILESO=CCOCCOCCOCCOCCOCCNC(=O)CCS
InChIInChI=1S/C15H29NO7S/c17-3-5-20-7-9-22-11-13-23-12-10-21-8-6-19-4-2-16-15(18)1-14-24/h3,24H,1-2,4-14H2,(H,16,18)
InChIKeyFSNNWRJDWNECAX-UHFFFAOYSA-N
XLogP-0.30
TPSA92.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid
CID 144843622
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
N-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163401026
20-oxo-20-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]icosanoic acid
CID 123822087
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
tert-butyl 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoate
CID 156645994
N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide
CID 126759423
3-[[3-oxo-3-[2-[2-(2-oxo-2-tritioethoxy)ethoxy]ethylamino]propyl]amino]-N-[2-[2-(2-oxo-2-tritioethoxy)ethoxy]ethyl]propanamide
CID 58699778
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
CID 172626027
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide (CID 57182546) is N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide is O=CCOCCOCCOCCOCCOCCNC(=O)CCS.
What is the InChIKey of N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is FSNNWRJDWNECAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO7S/c17-3-5-20-7-9-22-11-13-23-12-10-21-8-6-19-4-2-16-15(18)1-14-24/h3,24H,1-2,4-14H2,(H,16,18).
What are the key properties of N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 367.46 g/mol, XLogP of -0.30, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 57182546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).