2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide

C18H22N2O2S — CID 4923323

IUPAC2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NN=Cc2sccc2C)cc1
InChIInChI=1S/C18H22N2O2S/c1-4-13(2)15-5-7-16(8-6-15)22-12-18(21)20-19-11-17-14(3)9-10-23-17/h5-11,13H,4,12H2,1-3H3,(H,20,21)
InChIKeyDEQFHWYVTMKFGF-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.10
Rot. Bonds7

About 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide

2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 4923323) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID4923323
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NN=Cc2sccc2C)cc1
InChIInChI=1S/C18H22N2O2S/c1-4-13(2)15-5-7-16(8-6-15)22-12-18(21)20-19-11-17-14(3)9-10-23-17/h5-11,13H,4,12H2,1-3H3,(H,20,21)
InChIKeyDEQFHWYVTMKFGF-UHFFFAOYSA-N
XLogP4.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide 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

N-[(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 3263674
2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 6023409
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]acetamide
CID 135925942
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 7355336
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 7368753
2-(4-butan-2-ylphenoxy)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135644121
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135905897
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide
CID 41338895
2-(4-butan-2-ylphenoxy)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135678450
2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 2594807

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 4923323) is 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide is CCC(C)c1ccc(OCC(=O)NN=Cc2sccc2C)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is DEQFHWYVTMKFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-4-13(2)15-5-7-16(8-6-15)22-12-18(21)20-19-11-17-14(3)9-10-23-17/h5-11,13H,4,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 330.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 4923323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).