N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide

C15H13BrN2O2S — CID 6031492

IUPACN-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESC=CCOc1ccc(Br)c(/C=N\NC(=O)c2cccs2)c1
InChIInChI=1S/C15H13BrN2O2S/c1-2-7-20-12-5-6-13(16)11(9-12)10-17-18-15(19)14-4-3-8-21-14/h2-6,8-10H,1,7H2,(H,18,19)/b17-10-
InChIKeyBSIZYEMUKFYULS-YVLHZVERSA-N
MW365.25 g/mol
LogP3.84
Rot. Bonds6

About N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6031492) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID6031492
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESC=CCOc1ccc(Br)c(/C=N\NC(=O)c2cccs2)c1
InChIInChI=1S/C15H13BrN2O2S/c1-2-7-20-12-5-6-13(16)11(9-12)10-17-18-15(19)14-4-3-8-21-14/h2-6,8-10H,1,7H2,(H,18,19)/b17-10-
InChIKeyBSIZYEMUKFYULS-YVLHZVERSA-N
XLogP3.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 50929991
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 135614713
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643465
2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7264297
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(E)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]-2-(4-butylphenoxy)acetamide
CID 6874052
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 5402013
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643472
N-[(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 1364490
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 5342520
1-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 18175606

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 6031492) is N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide is C=CCOc1ccc(Br)c(/C=N\NC(=O)c2cccs2)c1.
What is the InChIKey of N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is BSIZYEMUKFYULS-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-2-7-20-12-5-6-13(16)11(9-12)10-17-18-15(19)14-4-3-8-21-14/h2-6,8-10H,1,7H2,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6031492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).