2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide

C17H19BrN2O2S — CID 4922231

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NN=Cc2cccs2)c(Br)c1
InChIInChI=1S/C17H19BrN2O2S/c1-17(2,3)12-6-7-15(14(18)9-12)22-11-16(21)20-19-10-13-5-4-8-23-13/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyBVRCLNUBQJDVJD-UHFFFAOYSA-N
MW395.32 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide (PubChem CID 4922231) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
PubChem CID4922231
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NN=Cc2cccs2)c(Br)c1
InChIInChI=1S/C17H19BrN2O2S/c1-17(2,3)12-6-7-15(14(18)9-12)22-11-16(21)20-19-10-13-5-4-8-23-13/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyBVRCLNUBQJDVJD-UHFFFAOYSA-N
XLogP4.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.34
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-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524
2-(2-bromo-4-tert-butylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4922143
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588895
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 4922179
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272
2-(2-bromo-4-tert-butylphenoxy)-N-(naphthalen-2-ylmethylideneamino)acetamide
CID 4922186
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4922199
2-(2-bromo-4-tert-butylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4925212
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6231186
2-(2-bromo-4-tert-butylphenoxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4922177
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135899617
2-(2-ethoxyphenoxy)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25249395

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide (CID 4922231) is 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide is CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccs2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide?
The InChIKey is BVRCLNUBQJDVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c1-17(2,3)12-6-7-15(14(18)9-12)22-11-16(21)20-19-10-13-5-4-8-23-13/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide has a molecular weight of 395.32 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 4922231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).