N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide

C17H19BrN2O4S — CID 60533341

IUPACN-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1c(C)cc(NC(C)=O)cc1C
InChIInChI=1S/C17H19BrN2O4S/c1-10-7-14(19-12(3)21)8-11(2)17(10)25(22,23)20-15-9-13(18)5-6-16(15)24-4/h5-9,20H,1-4H3,(H,19,21)
InChIKeyMHHWUAGPGSIECQ-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.83
Rot. Bonds5

About N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide

N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide (PubChem CID 60533341) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide
PubChem CID60533341
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1c(C)cc(NC(C)=O)cc1C
InChIInChI=1S/C17H19BrN2O4S/c1-10-7-14(19-12(3)21)8-11(2)17(10)25(22,23)20-15-9-13(18)5-6-16(15)24-4/h5-9,20H,1-4H3,(H,19,21)
InChIKeyMHHWUAGPGSIECQ-UHFFFAOYSA-N
XLogP3.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 54968220
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide?
The IUPAC name of N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide (CID 60533341) is N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide.
What is the SMILES notation for N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide?
The canonical SMILES for N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide is COc1ccc(Br)cc1NS(=O)(=O)c1c(C)cc(NC(C)=O)cc1C.
What is the InChIKey of N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide?
The InChIKey is MHHWUAGPGSIECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-10-7-14(19-12(3)21)8-11(2)17(10)25(22,23)20-15-9-13(18)5-6-16(15)24-4/h5-9,20H,1-4H3,(H,19,21).
What are the key properties of N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide?
N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide has a molecular weight of 427.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide is sourced from PubChem (CID 60533341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).