N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide

C17H19BrN2O5S — CID 998604

IUPACN-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C17H19BrN2O5S/c1-24-14-8-9-15(16(10-14)25-2)20(26(3,22)23)11-17(21)19-13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyBCMWCTJLMYVZLZ-UHFFFAOYSA-N
MW443.32 g/mol
LogP2.87
Rot. Bonds7

About N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide

N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 998604) has the molecular formula C17H19BrN2O5S and a molecular weight of 443.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID998604
Molecular FormulaC17H19BrN2O5S
Molecular Weight443.32 g/mol
Exact Mass442.02
IUPAC NameN-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C17H19BrN2O5S/c1-24-14-8-9-15(16(10-14)25-2)20(26(3,22)23)11-17(21)19-13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyBCMWCTJLMYVZLZ-UHFFFAOYSA-N
XLogP2.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43881644
N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2290689
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 28589422
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51342756
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43891779
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880089
N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342784
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43895655
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide (CID 998604) is N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is BCMWCTJLMYVZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S/c1-24-14-8-9-15(16(10-14)25-2)20(26(3,22)23)11-17(21)19-13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide?
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 443.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 998604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).