N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide

C15H13Br2NO2S — CID 107037069

IUPACN-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(S)cc2)c(Br)cc1Br
InChIInChI=1S/C15H13Br2NO2S/c1-20-14-8-13(11(16)7-12(14)17)18-15(19)6-9-2-4-10(21)5-3-9/h2-5,7-8,21H,6H2,1H3,(H,18,19)
InChIKeyXIEFEDFDUVNGSY-UHFFFAOYSA-N
MW431.15 g/mol
LogP4.69
Rot. Bonds4

About N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide

N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107037069) has the molecular formula C15H13Br2NO2S and a molecular weight of 431.15 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107037069
Molecular FormulaC15H13Br2NO2S
Molecular Weight431.15 g/mol
Exact Mass428.90
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(S)cc2)c(Br)cc1Br
InChIInChI=1S/C15H13Br2NO2S/c1-20-14-8-13(11(16)7-12(14)17)18-15(19)6-9-2-4-10(21)5-3-9/h2-5,7-8,21H,6H2,1H3,(H,18,19)
InChIKeyXIEFEDFDUVNGSY-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.15
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107638371
N-(2,4-dibromo-5-methoxyphenyl)-3-sulfanylbenzamide
CID 107037079
N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028761
N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
CID 103414030
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119745056
3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
CID 103412392
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119745055
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838138
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide (CID 107037069) is N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide is COc1cc(NC(=O)Cc2ccc(S)cc2)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is XIEFEDFDUVNGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2S/c1-20-14-8-13(11(16)7-12(14)17)18-15(19)6-9-2-4-10(21)5-3-9/h2-5,7-8,21H,6H2,1H3,(H,18,19).
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide?
N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 431.15 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107037069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).