N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide

C12H24N2O2S2 — CID 56621011

IUPACN-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
SMILESCCCC(=O)NCCSSCCNC(=O)CCC
InChIInChI=1S/C12H24N2O2S2/c1-3-5-11(15)13-7-9-17-18-10-8-14-12(16)6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFCJKHUAJAOGUCN-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.20
Rot. Bonds11

About N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide

N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide (PubChem CID 56621011) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
PubChem CID56621011
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC NameN-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
SMILESCCCC(=O)NCCSSCCNC(=O)CCC
InChIInChI=1S/C12H24N2O2S2/c1-3-5-11(15)13-7-9-17-18-10-8-14-12(16)6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFCJKHUAJAOGUCN-UHFFFAOYSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(hexyldisulfanyl)ethyl]butanamide
CID 169285624
N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]-4-oxoheptanamide
CID 142404366
ethane;5-oxo-5-[2-(propyldisulfanyl)ethylamino]pentanoic acid
CID 144548033
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
(5Z,8Z,11Z,14Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyldisulfanyl]ethyl]icosa-5,8,11,14-tetraenamide
CID 87921177
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-[2-(2-aminoethyldisulfanyl)ethyl]-N'-[2-[2-[[5-[2-(2-aminoethyldisulfanyl)ethylamino]-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]pentanediamide
CID 56675271
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
N-(3-iodopropyl)butanamide
CID 114504418
N-(4-acetamidobutyl)butanamide
CID 110417477
3-methylsulfanyl-N-propylpropanamide
CID 60637635

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide?
The IUPAC name of N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide (CID 56621011) is N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide?
The canonical SMILES for N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide is CCCC(=O)NCCSSCCNC(=O)CCC.
What is the InChIKey of N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide?
The InChIKey is FCJKHUAJAOGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-3-5-11(15)13-7-9-17-18-10-8-14-12(16)6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide?
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide has a molecular weight of 292.47 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide is sourced from PubChem (CID 56621011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).