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

C15H14Br2N2OS — CID 79519578

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(Br)ccc2N)c(Br)c1
InChIInChI=1S/C15H14Br2N2OS/c1-9-2-5-13(11(17)6-9)19-15(20)8-21-14-7-10(16)3-4-12(14)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyPADSIUFXOOUBIN-UHFFFAOYSA-N
MW430.17 g/mol
LogP4.83
Rot. Bonds4

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

2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 79519578) has the molecular formula C15H14Br2N2OS and a molecular weight of 430.17 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID79519578
Molecular FormulaC15H14Br2N2OS
Molecular Weight430.17 g/mol
Exact Mass427.92
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(Br)ccc2N)c(Br)c1
InChIInChI=1S/C15H14Br2N2OS/c1-9-2-5-13(11(17)6-9)19-15(20)8-21-14-7-10(16)3-4-12(14)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyPADSIUFXOOUBIN-UHFFFAOYSA-N
XLogP4.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.17
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 79143132
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79524833
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43305969
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 79519414
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide (CID 79519578) is 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2cc(Br)ccc2N)c(Br)c1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is PADSIUFXOOUBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2OS/c1-9-2-5-13(11(17)6-9)19-15(20)8-21-14-7-10(16)3-4-12(14)18/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide?
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 430.17 g/mol, XLogP of 4.83, 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-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 79519578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).