N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide

C15H14BrNO4S — CID 1034415

IUPACN-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO4S/c1-11-3-2-4-13(9-11)21-10-15(18)17-22(19,20)14-7-5-12(16)6-8-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyIAUGPTRYXDJNET-UHFFFAOYSA-N
MW384.25 g/mol
LogP2.64
Rot. Bonds5

About N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide

N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide (PubChem CID 1034415) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
PubChem CID1034415
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC NameN-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO4S/c1-11-3-2-4-13(9-11)21-10-15(18)17-22(19,20)14-7-5-12(16)6-8-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyIAUGPTRYXDJNET-UHFFFAOYSA-N
XLogP2.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
CID 155554098
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(4-bromophenoxy)-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4508285
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611
N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505825
2-(3-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2135518
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737
2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 110790654
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 155551863

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide (CID 1034415) is N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide?
The InChIKey is IAUGPTRYXDJNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-11-3-2-4-13(9-11)21-10-15(18)17-22(19,20)14-7-5-12(16)6-8-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide?
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide has a molecular weight of 384.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 1034415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).