2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide

C14H12Br2N2OS — CID 79533863

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
SMILESNc1ccc(Br)cc1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12Br2N2OS/c15-9-1-4-11(5-2-9)18-14(19)8-20-13-7-10(16)3-6-12(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyJJEJRNXGBMTDNC-UHFFFAOYSA-N
MW416.14 g/mol
LogP4.52
Rot. Bonds4

About 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide

2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide (PubChem CID 79533863) has the molecular formula C14H12Br2N2OS and a molecular weight of 416.14 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
PubChem CID79533863
Molecular FormulaC14H12Br2N2OS
Molecular Weight416.14 g/mol
Exact Mass413.90
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
SMILESNc1ccc(Br)cc1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12Br2N2OS/c15-9-1-4-11(5-2-9)18-14(19)8-20-13-7-10(16)3-6-12(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyJJEJRNXGBMTDNC-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.14
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide
CID 79533355
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
CID 79519578
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 79519414
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79524833
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
CID 79533636
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 79519416
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-cyanoethyl)acetamide
CID 79533104

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide (CID 79533863) is 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide is Nc1ccc(Br)cc1SCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide?
The InChIKey is JJEJRNXGBMTDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2OS/c15-9-1-4-11(5-2-9)18-14(19)8-20-13-7-10(16)3-6-12(13)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide?
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide has a molecular weight of 416.14 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 79533863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).