N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)

C20H32AuN3O3S — CID 102508915

IUPACN-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)
SMILESCC(=O)Nc1cc(OCCCCCCCCCCCS)cc(N=C(C)[O-])n1.[Au+]
InChIInChI=1S/C20H33N3O3S.Au/c1-16(24)21-19-14-18(15-20(23-19)22-17(2)25)26-12-10-8-6-4-3-5-7-9-11-13-27;/h14-15,27H,3-13H2,1-2H3,(H2,21,22,23,24,25);/q;+1/p-1
InChIKeyUNCSPBYMLPIHPP-UHFFFAOYSA-M
MW591.53 g/mol
LogP4.27
Rot. Bonds14

About N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)

N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+) (PubChem CID 102508915) has the molecular formula C20H32AuN3O3S and a molecular weight of 591.53 g/mol. Its IUPAC name is N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+).

Molecular Properties

Compound NameN-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)
PubChem CID102508915
Molecular FormulaC20H32AuN3O3S
Molecular Weight591.53 g/mol
Exact Mass591.18
IUPAC NameN-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)
SMILESCC(=O)Nc1cc(OCCCCCCCCCCCS)cc(N=C(C)[O-])n1.[Au+]
InChIInChI=1S/C20H33N3O3S.Au/c1-16(24)21-19-14-18(15-20(23-19)22-17(2)25)26-12-10-8-6-4-3-5-7-9-11-13-27;/h14-15,27H,3-13H2,1-2H3,(H2,21,22,23,24,25);/q;+1/p-1
InChIKeyUNCSPBYMLPIHPP-UHFFFAOYSA-M
XLogP4.27
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

S-[6-[(2,6-diacetamido-4-pyridinyl)oxy]hexyl] ethanethioate
CID 57412618
1-N,3-N-ditert-butyl-5-(4-sulfanylbutoxy)benzene-1,3-dicarboxamide
CID 102288369
N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide
CID 71358043
1-[4-[[4-(4-sulfanylbutoxy)phenyl]diazenyl]phenyl]ethanone
CID 132517146
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
9-(3-bromo-5-nitrophenoxy)nonane-1-thiol
CID 103589603
N-[4-[(5S)-5-amino-6-sulfanylhexoxy]phenyl]acetamide
CID 87875819
N-[4-(5-amino-6-sulfanylhexoxy)phenyl]acetamide;hydrochloride
CID 18458162
N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide
CID 145084464
2-(4-acetamidophenoxy)ethyl nitrate;5-(4-acetamidophenoxy)pentyl nitrate
CID 159029976
8-sulfanyloctyl acetate
CID 19068319
N-[5-(3-hydroxypropoxy)-3-pyridinyl]acetamide
CID 145083568

Frequently Asked Questions

What is the IUPAC name of N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)?
The IUPAC name of N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+) (CID 102508915) is N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+).
What is the SMILES notation for N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)?
The canonical SMILES for N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+) is CC(=O)Nc1cc(OCCCCCCCCCCCS)cc(N=C(C)[O-])n1.[Au+].
What is the InChIKey of N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)?
The InChIKey is UNCSPBYMLPIHPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H33N3O3S.Au/c1-16(24)21-19-14-18(15-20(23-19)22-17(2)25)26-12-10-8-6-4-3-5-7-9-11-13-27;/h14-15,27H,3-13H2,1-2H3,(H2,21,22,23,24,25);/q;+1/p-1.
What are the key properties of N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+)?
N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+) has a molecular weight of 591.53 g/mol, XLogP of 4.27, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-acetamido-4-(11-sulfanylundecoxy)-2-pyridinyl]ethanimidate;gold(1+) is sourced from PubChem (CID 102508915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).