2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide

C16H18N2O2S — CID 6023409

IUPAC2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2sccc2C)cc1C
InChIInChI=1S/C16H18N2O2S/c1-11-4-5-14(8-13(11)3)20-10-16(19)18-17-9-15-12(2)6-7-21-15/h4-9H,10H2,1-3H3,(H,18,19)/b17-9-
InChIKeyOMIKDIKQJSXUGP-MFOYZWKCSA-N
MW302.40 g/mol
LogP3.20
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide

2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 6023409) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID6023409
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2sccc2C)cc1C
InChIInChI=1S/C16H18N2O2S/c1-11-4-5-14(8-13(11)3)20-10-16(19)18-17-9-15-12(2)6-7-21-15/h4-9H,10H2,1-3H3,(H,18,19)/b17-9-
InChIKeyOMIKDIKQJSXUGP-MFOYZWKCSA-N
XLogP3.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.20
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

N-[(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 3263674
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4923323
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 2594807
2-(3,4-dimethylphenoxy)-N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135590117
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316133
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 4262364
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135479599
2-(3,4-dimethylphenoxy)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 6868155

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 6023409) is 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccc(OCC(=O)N/N=C\c2sccc2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is OMIKDIKQJSXUGP-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-4-5-14(8-13(11)3)20-10-16(19)18-17-9-15-12(2)6-7-21-15/h4-9H,10H2,1-3H3,(H,18,19)/b17-9-.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6023409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).