N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide

C14H13BrN2O3S — CID 9232259

IUPACN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(Br)cs2)cc1OC
InChIInChI=1S/C14H13BrN2O3S/c1-19-12-4-3-9(5-13(12)20-2)14(18)17-16-7-11-6-10(15)8-21-11/h3-8H,1-2H3,(H,17,18)/b16-7-
InChIKeyUWDSPCPTXJBFOL-APSNUPSMSA-N
MW369.24 g/mol
LogP3.29
Rot. Bonds5

About N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide

N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 9232259) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
PubChem CID9232259
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(Br)cs2)cc1OC
InChIInChI=1S/C14H13BrN2O3S/c1-19-12-4-3-9(5-13(12)20-2)14(18)17-16-7-11-6-10(15)8-21-11/h3-8H,1-2H3,(H,17,18)/b16-7-
InChIKeyUWDSPCPTXJBFOL-APSNUPSMSA-N
XLogP3.29
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
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)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215276
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3793767
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 6911550
N-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126328922
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4598827
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126325475
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide (CID 9232259) is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C\c2cc(Br)cs2)cc1OC.
What is the InChIKey of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is UWDSPCPTXJBFOL-APSNUPSMSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-19-12-4-3-9(5-13(12)20-2)14(18)17-16-7-11-6-10(15)8-21-11/h3-8H,1-2H3,(H,17,18)/b16-7-.
What are the key properties of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide?
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 369.24 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 9232259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).