2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide

C17H19BrN2O3S — CID 22300057

IUPAC2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CNS(=O)(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-12-7-13(2)9-16(8-12)20-17(21)10-19-24(22,23)11-14-3-5-15(18)6-4-14/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyNWLPDKJGDCYPQT-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.12
Rot. Bonds6

About 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide

2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 22300057) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
PubChem CID22300057
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CNS(=O)(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-12-7-13(2)9-16(8-12)20-17(21)10-19-24(22,23)11-14-3-5-15(18)6-4-14/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyNWLPDKJGDCYPQT-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
2-[(4-bromophenyl)methylsulfonylamino]-N-(3-chlorophenyl)acetamide
CID 22300056
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 21156556
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301501
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 22299888
N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide
CID 112998471
2-[(4-chlorophenyl)methylsulfonylamino]-N-phenylacetamide
CID 51711268
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 22300462
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide (CID 22300057) is 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CNS(=O)(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is NWLPDKJGDCYPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-12-7-13(2)9-16(8-12)20-17(21)10-19-24(22,23)11-14-3-5-15(18)6-4-14/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide?
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 411.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 22300057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).