N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide

C15H31NO5S — CID 156794689

IUPACN-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCOCCOCCCC(C)S
InChIInChI=1S/C15H31NO5S/c1-14(22)4-3-6-18-8-10-20-12-13-21-11-9-19-7-5-16-15(2)17/h14,22H,3-13H2,1-2H3,(H,16,17)
InChIKeyQHCDTRSKXNZZHB-UHFFFAOYSA-N
MW337.48 g/mol
LogP1.29
Rot. Bonds16

About N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide

N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 156794689) has the molecular formula C15H31NO5S and a molecular weight of 337.48 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID156794689
Molecular FormulaC15H31NO5S
Molecular Weight337.48 g/mol
Exact Mass337.19
IUPAC NameN-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCOCCOCCCC(C)S
InChIInChI=1S/C15H31NO5S/c1-14(22)4-3-6-18-8-10-20-12-13-21-11-9-19-7-5-16-15(2)17/h14,22H,3-13H2,1-2H3,(H,16,17)
InChIKeyQHCDTRSKXNZZHB-UHFFFAOYSA-N
XLogP1.29
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide
CID 175617382
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 142616578
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 156794689) is N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide is CC(=O)NCCOCCOCCOCCOCCCC(C)S.
What is the InChIKey of N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is QHCDTRSKXNZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5S/c1-14(22)4-3-6-18-8-10-20-12-13-21-11-9-19-7-5-16-15(2)17/h14,22H,3-13H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 337.48 g/mol, XLogP of 1.29, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 156794689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).