N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide

C14H13BrN2O3S — CID 6376855

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(Br)s2)c1
InChIInChI=1S/C14H13BrN2O3S/c1-19-10-5-9(6-11(7-10)20-2)14(18)17-16-8-12-3-4-13(15)21-12/h3-8H,1-2H3,(H,17,18)/b16-8-
InChIKeyZWKDSXJZEDPJMM-PXNMLYILSA-N
MW369.24 g/mol
LogP3.29
Rot. Bonds5

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 6376855) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
PubChem CID6376855
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(Br)s2)c1
InChIInChI=1S/C14H13BrN2O3S/c1-19-10-5-9(6-11(7-10)20-2)14(18)17-16-8-12-3-4-13(15)21-12/h3-8H,1-2H3,(H,17,18)/b16-8-
InChIKeyZWKDSXJZEDPJMM-PXNMLYILSA-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

3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9460693
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
CID 6021448
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(dimethylamino)benzamide
CID 126003739
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
CID 119055652
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 3930747
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460639
N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide
CID 5083807
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide (CID 6376855) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Br)s2)c1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is ZWKDSXJZEDPJMM-PXNMLYILSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-19-10-5-9(6-11(7-10)20-2)14(18)17-16-8-12-3-4-13(15)21-12/h3-8H,1-2H3,(H,17,18)/b16-8-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-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)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 6376855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).