2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide

C19H23BrN2O4S — CID 46492565

IUPAC2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)C(C)Oc2ccc(C)cc2Br)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-13-4-9-18(17(20)10-13)26-14(2)19(23)22-11-15-5-7-16(8-6-15)12-27(24,25)21-3/h4-10,14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyBUXUKGQVEHSAAR-UHFFFAOYSA-N
MW455.37 g/mol
LogP2.89
Rot. Bonds8

About 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide

2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 46492565) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID46492565
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)C(C)Oc2ccc(C)cc2Br)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-13-4-9-18(17(20)10-13)26-14(2)19(23)22-11-15-5-7-16(8-6-15)12-27(24,25)21-3/h4-10,14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyBUXUKGQVEHSAAR-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24563425
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 42960788
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
2-(2-bromo-4-methylphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 47055671
2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55846730
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide
CID 55778334

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide (CID 46492565) is 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide is CNS(=O)(=O)Cc1ccc(CNC(=O)C(C)Oc2ccc(C)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is BUXUKGQVEHSAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-13-4-9-18(17(20)10-13)26-14(2)19(23)22-11-15-5-7-16(8-6-15)12-27(24,25)21-3/h4-10,14,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 455.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46492565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).