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

C16H17BrN2OS — CID 43305969

IUPAC2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(Br)cc2N)c1
InChIInChI=1S/C16H17BrN2OS/c1-10-3-4-11(2)14(7-10)19-16(20)9-21-15-6-5-12(17)8-13(15)18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyLKBTUHCCHGWFNB-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.38
Rot. Bonds4

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

2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 43305969) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID43305969
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC Name2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(Br)cc2N)c1
InChIInChI=1S/C16H17BrN2OS/c1-10-3-4-11(2)14(7-10)19-16(20)9-21-15-6-5-12(17)8-13(15)18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyLKBTUHCCHGWFNB-UHFFFAOYSA-N
XLogP4.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.38
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-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
CID 43306161
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79524833
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
CID 79519578
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43303668
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43302526
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (CID 43305969) is 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSc2ccc(Br)cc2N)c1.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is LKBTUHCCHGWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-10-3-4-11(2)14(7-10)19-16(20)9-21-15-6-5-12(17)8-13(15)18/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 365.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 43305969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).