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

C14H12Br2N2OS — CID 82841973

IUPAC2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccccc2Br)c(Br)c1
InChIInChI=1S/C14H12Br2N2OS/c15-10-3-1-2-4-12(10)18-14(19)8-20-13-6-5-9(17)7-11(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyMUHSOGWWDLKZDE-UHFFFAOYSA-N
MW416.14 g/mol
LogP4.52
Rot. Bonds4

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

2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide (PubChem CID 82841973) has the molecular formula C14H12Br2N2OS and a molecular weight of 416.14 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
PubChem CID82841973
Molecular FormulaC14H12Br2N2OS
Molecular Weight416.14 g/mol
Exact Mass413.90
IUPAC Name2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccccc2Br)c(Br)c1
InChIInChI=1S/C14H12Br2N2OS/c15-10-3-1-2-4-12(10)18-14(19)8-20-13-6-5-9(17)7-11(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyMUHSOGWWDLKZDE-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-(4-amino-2-bromophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 82838713
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 82838734
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 79143132
N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1143775
2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 82838705
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 82840597
2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 82840777
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 82841648
N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82841898
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide (CID 82841973) is 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide is Nc1ccc(SCC(=O)Nc2ccccc2Br)c(Br)c1.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide?
The InChIKey is MUHSOGWWDLKZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2OS/c15-10-3-1-2-4-12(10)18-14(19)8-20-13-6-5-9(17)7-11(13)16/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide?
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-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-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 82841973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).