2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide

C20H23BrN2O5S — CID 17161178

IUPAC2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)c(Br)c1
InChIInChI=1S/C20H23BrN2O5S/c1-14-4-9-19(18(21)11-14)28-13-20(24)23-15-5-7-17(8-6-15)29(25,26)22-12-16-3-2-10-27-16/h4-9,11,16,22H,2-3,10,12-13H2,1H3,(H,23,24)
InChIKeyGSDBNSRUOAZLTF-UHFFFAOYSA-N
MW483.38 g/mol
LogP3.23
Rot. Bonds8

About 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 17161178) has the molecular formula C20H23BrN2O5S and a molecular weight of 483.38 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID17161178
Molecular FormulaC20H23BrN2O5S
Molecular Weight483.38 g/mol
Exact Mass482.05
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)c(Br)c1
InChIInChI=1S/C20H23BrN2O5S/c1-14-4-9-19(18(21)11-14)28-13-20(24)23-15-5-7-17(8-6-15)29(25,26)22-12-16-3-2-10-27-16/h4-9,11,16,22H,2-3,10,12-13H2,1H3,(H,23,24)
InChIKeyGSDBNSRUOAZLTF-UHFFFAOYSA-N
XLogP3.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]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

2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105820
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
3-bromo-4-(2-methoxyethoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17161225
2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 1025737
2-naphthalen-2-yloxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105928
N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 4928938
2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
CID 102551738
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40965378
2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40796730

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide (CID 17161178) is 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is GSDBNSRUOAZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5S/c1-14-4-9-19(18(21)11-14)28-13-20(24)23-15-5-7-17(8-6-15)29(25,26)22-12-16-3-2-10-27-16/h4-9,11,16,22H,2-3,10,12-13H2,1H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 483.38 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17161178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).