2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide

C18H22N2O2S — CID 3495541

IUPAC2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(C)cc1C(C)C)c1cccs1
InChIInChI=1S/C18H22N2O2S/c1-12(2)15-10-13(3)7-8-16(15)22-11-18(21)20-19-14(4)17-6-5-9-23-17/h5-10,12H,11H2,1-4H3,(H,20,21)
InChIKeyGYMANAZQZQGBIT-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide

2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide (PubChem CID 3495541) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
PubChem CID3495541
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(C)cc1C(C)C)c1cccs1
InChIInChI=1S/C18H22N2O2S/c1-12(2)15-10-13(3)7-8-16(15)22-11-18(21)20-19-14(4)17-6-5-9-23-17/h5-10,12H,11H2,1-4H3,(H,20,21)
InChIKeyGYMANAZQZQGBIT-UHFFFAOYSA-N
XLogP4.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.10
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-naphthalen-1-yloxy-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 5406666
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-[(E)-1-(3-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 18205959
2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 4564846
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
N-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5419872
N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929725
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 3748878
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 5122020

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The IUPAC name of 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide (CID 3495541) is 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The canonical SMILES for 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide is CC(=NNC(=O)COc1ccc(C)cc1C(C)C)c1cccs1.
What is the InChIKey of 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The InChIKey is GYMANAZQZQGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(2)15-10-13(3)7-8-16(15)22-11-18(21)20-19-14(4)17-6-5-9-23-17/h5-10,12H,11H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide?
2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide has a molecular weight of 330.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide is sourced from PubChem (CID 3495541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).