N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide

C14H12Br2N2O2S — CID 92699107

IUPACN-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1c(Br)cc(Br)cc1/C=N\NC(=O)Cc1cccs1
InChIInChI=1S/C14H12Br2N2O2S/c1-20-14-9(5-10(15)6-12(14)16)8-17-18-13(19)7-11-3-2-4-21-11/h2-6,8H,7H2,1H3,(H,18,19)/b17-8-
InChIKeyBATKJKCMIMMJOB-IUXPMGMMSA-N
MW432.14 g/mol
LogP3.97
Rot. Bonds5

About N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 92699107) has the molecular formula C14H12Br2N2O2S and a molecular weight of 432.14 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID92699107
Molecular FormulaC14H12Br2N2O2S
Molecular Weight432.14 g/mol
Exact Mass429.90
IUPAC NameN-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1c(Br)cc(Br)cc1/C=N\NC(=O)Cc1cccs1
InChIInChI=1S/C14H12Br2N2O2S/c1-20-14-9(5-10(15)6-12(14)16)8-17-18-13(19)7-11-3-2-4-21-11/h2-6,8H,7H2,1H3,(H,18,19)/b17-8-
InChIKeyBATKJKCMIMMJOB-IUXPMGMMSA-N
XLogP3.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.14
LogP ≤ 53.97
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-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135684249
N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 879016
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5441093
N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6893906
N-(naphthalen-1-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 2064176
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3927693
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135680361

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 92699107) is N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is COc1c(Br)cc(Br)cc1/C=N\NC(=O)Cc1cccs1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is BATKJKCMIMMJOB-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H12Br2N2O2S/c1-20-14-9(5-10(15)6-12(14)16)8-17-18-13(19)7-11-3-2-4-21-11/h2-6,8H,7H2,1H3,(H,18,19)/b17-8-.
What are the key properties of N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 432.14 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 92699107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).