N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide

C19H36N2O5S4 — CID 158907695

IUPACN-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide
SMILESCCC(=O)CCOCCSSCCNC(C)=O.CCC(=O)CSSCCNC(C)=O
InChIInChI=1S/C11H21NO3S2.C8H15NO2S2/c1-3-11(14)4-6-15-7-9-17-16-8-5-12-10(2)13;1-3-8(11)6-13-12-5-4-9-7(2)10/h3-9H2,1-2H3,(H,12,13);3-6H2,1-2H3,(H,9,10)
InChIKeyJGGFNDOXDKHKJM-UHFFFAOYSA-N
MW500.77 g/mol
LogP3.37
Rot. Bonds18

About N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide

N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide (PubChem CID 158907695) has the molecular formula C19H36N2O5S4 and a molecular weight of 500.77 g/mol. Its IUPAC name is N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide
PubChem CID158907695
Molecular FormulaC19H36N2O5S4
Molecular Weight500.77 g/mol
Exact Mass500.15
IUPAC NameN-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide
SMILESCCC(=O)CCOCCSSCCNC(C)=O.CCC(=O)CSSCCNC(C)=O
InChIInChI=1S/C11H21NO3S2.C8H15NO2S2/c1-3-11(14)4-6-15-7-9-17-16-8-5-12-10(2)13;1-3-8(11)6-13-12-5-4-9-7(2)10/h3-9H2,1-2H3,(H,12,13);3-6H2,1-2H3,(H,9,10)
InChIKeyJGGFNDOXDKHKJM-UHFFFAOYSA-N
XLogP3.37
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.77
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
CID 87109583
N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide
CID 176611212
N-(10-oxododecyl)acetamide
CID 164677162
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
CID 163518990
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
S-(2-acetamidoethyl) (213C)ethanethioate
CID 46188004
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[2-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]butanediamide
CID 50942114

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide (CID 158907695) is N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide is CCC(=O)CCOCCSSCCNC(C)=O.CCC(=O)CSSCCNC(C)=O.
What is the InChIKey of N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide?
The InChIKey is JGGFNDOXDKHKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S2.C8H15NO2S2/c1-3-11(14)4-6-15-7-9-17-16-8-5-12-10(2)13;1-3-8(11)6-13-12-5-4-9-7(2)10/h3-9H2,1-2H3,(H,12,13);3-6H2,1-2H3,(H,9,10).
What are the key properties of N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide?
N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide has a molecular weight of 500.77 g/mol, XLogP of 3.37, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide is sourced from PubChem (CID 158907695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).