N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide

C20H18N2O2S — CID 6123716

IUPACN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
SMILESCc1ccc(/C=N\NC(=O)COc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C20H18N2O2S/c1-15-11-12-17(25-15)13-21-22-20(23)14-24-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,23)/b21-13-
InChIKeyUXGOQPHOLIUTLQ-BKUYFWCQSA-N
MW350.44 g/mol
LogP4.25
Rot. Bonds6

About N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide

N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide (PubChem CID 6123716) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
PubChem CID6123716
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
SMILESCc1ccc(/C=N\NC(=O)COc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C20H18N2O2S/c1-15-11-12-17(25-15)13-21-22-20(23)14-24-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,23)/b21-13-
InChIKeyUXGOQPHOLIUTLQ-BKUYFWCQSA-N
XLogP4.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.25
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-(2-phenylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 922521
N-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157
2-[2-[[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1244956
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 42995414
2-(2,6-dimethylphenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 909240
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 922567
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135603269
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6005253
2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9315527
N-[(Z)-2-ethylbutylideneamino]-2-(2-phenylphenoxy)acetamide
CID 9315533
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227
2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 968305

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide (CID 6123716) is N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide is Cc1ccc(/C=N\NC(=O)COc2ccccc2-c2ccccc2)s1.
What is the InChIKey of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The InChIKey is UXGOQPHOLIUTLQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-15-11-12-17(25-15)13-21-22-20(23)14-24-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide has a molecular weight of 350.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 6123716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).