2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide

C16H17BrN2O3S2 — CID 24635386

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H17BrN2O3S2/c1-11-9-12(17)3-8-15(11)23-10-16(20)19-13-4-6-14(7-5-13)24(21,22)18-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyFQIMDHNKJFGENW-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide (PubChem CID 24635386) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
PubChem CID24635386
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H17BrN2O3S2/c1-11-9-12(17)3-8-15(11)23-10-16(20)19-13-4-6-14(7-5-13)24(21,22)18-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyFQIMDHNKJFGENW-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27872538
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 5091800
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
CID 34206787
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
methyl 2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]phenoxy]acetate
CID 55709184
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478563
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38351202

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide (CID 24635386) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is FQIMDHNKJFGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c1-11-9-12(17)3-8-15(11)23-10-16(20)19-13-4-6-14(7-5-13)24(21,22)18-2/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 429.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 24635386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).