3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide

C14H13BrN2O2S — CID 5259004

IUPAC3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2cccs2)cc1Br
InChIInChI=1S/C14H13BrN2O2S/c1-9(13-4-3-7-20-13)16-17-14(18)10-5-6-12(19-2)11(15)8-10/h3-8H,1-2H3,(H,17,18)
InChIKeyGPYKOFKSIURMAD-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.67
Rot. Bonds4

About 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide

3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide (PubChem CID 5259004) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
PubChem CID5259004
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2cccs2)cc1Br
InChIInChI=1S/C14H13BrN2O2S/c1-9(13-4-3-7-20-13)16-17-14(18)10-5-6-12(19-2)11(15)8-10/h3-8H,1-2H3,(H,17,18)
InChIKeyGPYKOFKSIURMAD-UHFFFAOYSA-N
XLogP3.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.67
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

4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
N-[4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 2279231
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 4652301
3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 6314277
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 9014955
3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
CID 135560290
N-[1-(3,4-dimethoxyphenyl)-3-oxo-3-[2-(1-thiophen-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
CID 3093225
diethyl-[[2-methoxy-5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenyl]methyl]azanium
CID 9176511

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide (CID 5259004) is 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide is COc1ccc(C(=O)NN=C(C)c2cccs2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide?
The InChIKey is GPYKOFKSIURMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-9(13-4-3-7-20-13)16-17-14(18)10-5-6-12(19-2)11(15)8-10/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide?
3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide has a molecular weight of 353.24 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide is sourced from PubChem (CID 5259004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).