2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen

C18H36N2O4S2 — CID 166551905

IUPAC2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen
SMILESCC(C)C#CCNC(=O)COCCOC(C)(C)SSCNC(=O)C(C)C.[H][H].[H][H]
InChIInChI=1S/C18H32N2O4S2.2H2/c1-14(2)8-7-9-19-16(21)12-23-10-11-24-18(5,6)26-25-13-20-17(22)15(3)4;;/h14-15H,9-13H2,1-6H3,(H,19,21)(H,20,22);2*1H
InChIKeyBZXXROOWRALJSF-UHFFFAOYSA-N
MW408.63 g/mol
LogP3.13
Rot. Bonds12

About 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen

2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen (PubChem CID 166551905) has the molecular formula C18H36N2O4S2 and a molecular weight of 408.63 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen
PubChem CID166551905
Molecular FormulaC18H36N2O4S2
Molecular Weight408.63 g/mol
Exact Mass408.21
IUPAC Name2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen
SMILESCC(C)C#CCNC(=O)COCCOC(C)(C)SSCNC(=O)C(C)C.[H][H].[H][H]
InChIInChI=1S/C18H32N2O4S2.2H2/c1-14(2)8-7-9-19-16(21)12-23-10-11-24-18(5,6)26-25-13-20-17(22)15(3)4;;/h14-15H,9-13H2,1-6H3,(H,19,21)(H,20,22);2*1H
InChIKeyBZXXROOWRALJSF-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxymethyldisulfanyl]propan-2-yl]propanamide
CID 166562560
2-[2-[2-(acetamidomethyldisulfanyl)propan-2-yloxy]ethoxy]-N-prop-2-ynylacetamide
CID 166551910
2-methyl-N-[[1-[2-[2-oxo-2-(pent-2-ynylamino)ethoxy]ethoxy]ethyldisulfanyl]methyl]propanamide
CID 166807172
2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen
CID 169266815
2-[2-[1-(methyldisulfanyl)propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide
CID 169267178
2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide
CID 169266816
N-(4-methylpent-2-ynyl)-2-[2-[1-[2-(propan-2-ylamino)ethyldisulfanyl]propoxy]ethoxy]acetamide
CID 162478707
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155459719
N-but-2-ynyl-3-[2-[2-[2-[2-(ethylamino)ethyldisulfanyl]propan-2-yloxy]ethoxy]ethoxy]propanamide;ethane
CID 169267105
N-(4-methylpent-2-ynyl)-3-[2-[2-[[2-methyl-1-[2-(propan-2-ylamino)ethyldisulfanyl]propyl]amino]ethoxy]ethoxy]propanamide;molecular hydrogen
CID 163281715
2-[2-[[4,5-bis(ethenyl)-6-methyl-3,6-dihydrodithiin-3-yl]oxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen
CID 169266934
[2-[2-[2-[3-(4-methylpent-2-ynylamino)-3-oxopropoxy]ethoxy]ethoxy]-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl] thiocyanate
CID 166562559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen?
The IUPAC name of 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen (CID 166551905) is 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen is CC(C)C#CCNC(=O)COCCOC(C)(C)SSCNC(=O)C(C)C.[H][H].[H][H].
What is the InChIKey of 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen?
The InChIKey is BZXXROOWRALJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4S2.2H2/c1-14(2)8-7-9-19-16(21)12-23-10-11-24-18(5,6)26-25-13-20-17(22)15(3)4;;/h14-15H,9-13H2,1-6H3,(H,19,21)(H,20,22);2*1H.
What are the key properties of 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen?
2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen has a molecular weight of 408.63 g/mol, XLogP of 3.13, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen is sourced from PubChem (CID 166551905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).