N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide

C14H22N2O2S2 — CID 3348559

IUPACN-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)NCCSC(C)(C)C)c1cccs1
InChIInChI=1S/C14H22N2O2S2/c1-11(12-6-5-8-19-12)16-18-10-13(17)15-7-9-20-14(2,3)4/h5-6,8H,7,9-10H2,1-4H3,(H,15,17)
InChIKeyVMZYVLHZEJPATE-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.14
Rot. Bonds7

About N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide

N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (PubChem CID 3348559) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
PubChem CID3348559
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)NCCSC(C)(C)C)c1cccs1
InChIInChI=1S/C14H22N2O2S2/c1-11(12-6-5-8-19-12)16-18-10-13(17)15-7-9-20-14(2,3)4/h5-6,8H,7,9-10H2,1-4H3,(H,15,17)
InChIKeyVMZYVLHZEJPATE-UHFFFAOYSA-N
XLogP3.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate
CID 6375482
N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
CID 4280753
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376334
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
N-[(4-methoxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 4149089
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6183388
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3521475

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (CID 3348559) is N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is CC(=NOCC(=O)NCCSC(C)(C)C)c1cccs1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The InChIKey is VMZYVLHZEJPATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-11(12-6-5-8-19-12)16-18-10-13(17)15-7-9-20-14(2,3)4/h5-6,8H,7,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide has a molecular weight of 314.48 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is sourced from PubChem (CID 3348559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).