2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide

C17H20N2O2S — CID 7702525

IUPAC2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)c1ccc(/C=N\OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(2)15-7-5-14(6-8-15)10-19-21-12-17(20)18-11-16-4-3-9-22-16/h3-10,13H,11-12H2,1-2H3,(H,18,20)/b19-10-
InChIKeySXAMAWANTZUWQC-GRSHGNNSSA-N
MW316.43 g/mol
LogP3.54
Rot. Bonds7

About 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide

2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 7702525) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID7702525
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)c1ccc(/C=N\OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(2)15-7-5-14(6-8-15)10-19-21-12-17(20)18-11-16-4-3-9-22-16/h3-10,13H,11-12H2,1-2H3,(H,18,20)/b19-10-
InChIKeySXAMAWANTZUWQC-GRSHGNNSSA-N
XLogP3.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
CID 46670959
(E)-2-cyano-3-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 787972
2-(fluoren-9-ylideneamino)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 7697664
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702529
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484501
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7702191
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380339
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N,N-dimethyl-2-[[[3-(4-propan-2-ylphenyl)propylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
CID 111549506
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 7561500

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide (CID 7702525) is 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide is CC(C)c1ccc(/C=N\OCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SXAMAWANTZUWQC-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13(2)15-7-5-14(6-8-15)10-19-21-12-17(20)18-11-16-4-3-9-22-16/h3-10,13H,11-12H2,1-2H3,(H,18,20)/b19-10-.
What are the key properties of 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide?
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 7702525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).