N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide

C17H20N2O3S — CID 9315700

IUPACN-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C(/C)c1cc(C)sc1C
InChIInChI=1S/C17H20N2O3S/c1-11-9-14(13(3)23-11)12(2)18-19-17(20)10-22-16-8-6-5-7-15(16)21-4/h5-9H,10H2,1-4H3,(H,19,20)/b18-12-
InChIKeyVCCTWKTVSVALCP-PDGQHHTCSA-N
MW332.43 g/mol
LogP3.29
Rot. Bonds6

About N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide

N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 9315700) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
PubChem CID9315700
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C(/C)c1cc(C)sc1C
InChIInChI=1S/C17H20N2O3S/c1-11-9-14(13(3)23-11)12(2)18-19-17(20)10-22-16-8-6-5-7-15(16)21-4/h5-9H,10H2,1-4H3,(H,19,20)/b18-12-
InChIKeyVCCTWKTVSVALCP-PDGQHHTCSA-N
XLogP3.29
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315693
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315771
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240333
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
CID 4560808
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 7985057
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 136866793
methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate
CID 9075082
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
2-(2-methoxyphenoxy)-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]acetamide
CID 9315778
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide (CID 9315700) is N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N/N=C(/C)c1cc(C)sc1C.
What is the InChIKey of N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is VCCTWKTVSVALCP-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-9-14(13(3)23-11)12(2)18-19-17(20)10-22-16-8-6-5-7-15(16)21-4/h5-9H,10H2,1-4H3,(H,19,20)/b18-12-.
What are the key properties of N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide?
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 332.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 9315700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).