2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide

C19H22BrN3O5S — CID 4789994

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H22BrN3O5S/c1-13(24)22-16-5-7-17(8-6-16)29(26,27)21-11-19(25)23(2)12-14-10-15(20)4-9-18(14)28-3/h4-10,21H,11-12H2,1-3H3,(H,22,24)
InChIKeyXHIIRQSUOMIJAR-UHFFFAOYSA-N
MW484.37 g/mol
LogP2.35
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 4789994) has the molecular formula C19H22BrN3O5S and a molecular weight of 484.37 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID4789994
Molecular FormulaC19H22BrN3O5S
Molecular Weight484.37 g/mol
Exact Mass483.05
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H22BrN3O5S/c1-13(24)22-16-5-7-17(8-6-16)29(26,27)21-11-19(25)23(2)12-14-10-15(20)4-9-18(14)28-3/h4-10,21H,11-12H2,1-3H3,(H,22,24)
InChIKeyXHIIRQSUOMIJAR-UHFFFAOYSA-N
XLogP2.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 7677315
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
N-(4-acetamidophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112999771
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide
CID 8819584
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 17438069
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 24544466
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide (CID 4789994) is 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(Br)cc1CN(C)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is XHIIRQSUOMIJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O5S/c1-13(24)22-16-5-7-17(8-6-16)29(26,27)21-11-19(25)23(2)12-14-10-15(20)4-9-18(14)28-3/h4-10,21H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 484.37 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 4789994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).