2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide

C18H18Br2N2O2S — CID 2344852

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)CSc1cc(C)c(Br)cc1C
InChIInChI=1S/C18H18Br2N2O2S/c1-11-7-17(12(2)6-15(11)20)25-10-18(23)22-21-9-13-8-14(19)4-5-16(13)24-3/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyIRGCGVUACWKHRT-UHFFFAOYSA-N
MW486.23 g/mol
LogP5.08
Rot. Bonds6

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 2344852) has the molecular formula C18H18Br2N2O2S and a molecular weight of 486.23 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID2344852
Molecular FormulaC18H18Br2N2O2S
Molecular Weight486.23 g/mol
Exact Mass483.95
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)CSc1cc(C)c(Br)cc1C
InChIInChI=1S/C18H18Br2N2O2S/c1-11-7-17(12(2)6-15(11)20)25-10-18(23)22-21-9-13-8-14(19)4-5-16(13)24-3/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyIRGCGVUACWKHRT-UHFFFAOYSA-N
XLogP5.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.23
LogP ≤ 55.08
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

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 3788031
N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 4789586
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6902022
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 667965
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
CID 110525151
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6134478
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6900774
2-(benzotriazol-2-yl)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 5454054
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 126235669

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide (CID 2344852) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide is COc1ccc(Br)cc1C=NNC(=O)CSc1cc(C)c(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is IRGCGVUACWKHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O2S/c1-11-7-17(12(2)6-15(11)20)25-10-18(23)22-21-9-13-8-14(19)4-5-16(13)24-3/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 486.23 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 2344852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).