N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide

C14H12Br2N2O2S — CID 1271118

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide
SMILESCc1sc(C=NNC(=O)COc2ccccc2Br)cc1Br
InChIInChI=1S/C14H12Br2N2O2S/c1-9-12(16)6-10(21-9)7-17-18-14(19)8-20-13-5-3-2-4-11(13)15/h2-7H,8H2,1H3,(H,18,19)
InChIKeyITCUVWGAPSIQGI-UHFFFAOYSA-N
MW432.14 g/mol
LogP4.11
Rot. Bonds5

About N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide

N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide (PubChem CID 1271118) has the molecular formula C14H12Br2N2O2S and a molecular weight of 432.14 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide
PubChem CID1271118
Molecular FormulaC14H12Br2N2O2S
Molecular Weight432.14 g/mol
Exact Mass429.90
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide
SMILESCc1sc(C=NNC(=O)COc2ccccc2Br)cc1Br
InChIInChI=1S/C14H12Br2N2O2S/c1-9-12(16)6-10(21-9)7-17-18-14(19)8-20-13-5-3-2-4-11(13)15/h2-7H,8H2,1H3,(H,18,19)
InChIKeyITCUVWGAPSIQGI-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
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

2-(2-bromophenoxy)-N-[(5-ethyl-4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 1271116
[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
CID 6271003
2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5398283
2-(2-bromophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135541771
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
2-(2-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135610844
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
2-(2-bromophenoxy)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 56663382
[4-[(Z)-[[2-(2-bromophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 6129506
N-[(Z)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 126002577
2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide
CID 4137829
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide (CID 1271118) is N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide is Cc1sc(C=NNC(=O)COc2ccccc2Br)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide?
The InChIKey is ITCUVWGAPSIQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2S/c1-9-12(16)6-10(21-9)7-17-18-14(19)8-20-13-5-3-2-4-11(13)15/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide?
N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide has a molecular weight of 432.14 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide is sourced from PubChem (CID 1271118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).