2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide

C20H25BrN2O5S — CID 55773525

IUPAC2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2ccc(C)cc2Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25BrN2O5S/c1-6-27-18-10-8-15(12-19(18)29(25,26)23(4)5)22-20(24)14(3)28-17-9-7-13(2)11-16(17)21/h7-12,14H,6H2,1-5H3,(H,22,24)
InChIKeyYVFNIWLAFPUSIR-UHFFFAOYSA-N
MW485.40 g/mol
LogP3.81
Rot. Bonds8

About 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide

2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide (PubChem CID 55773525) has the molecular formula C20H25BrN2O5S and a molecular weight of 485.40 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
PubChem CID55773525
Molecular FormulaC20H25BrN2O5S
Molecular Weight485.40 g/mol
Exact Mass484.07
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2ccc(C)cc2Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25BrN2O5S/c1-6-27-18-10-8-15(12-19(18)29(25,26)23(4)5)22-20(24)14(3)28-17-9-7-13(2)11-16(17)21/h7-12,14H,6H2,1-5H3,(H,22,24)
InChIKeyYVFNIWLAFPUSIR-UHFFFAOYSA-N
XLogP3.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 43077928
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)acetamide
CID 120666806
2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55792391
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide (CID 55773525) is 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide is CCOc1ccc(NC(=O)C(C)Oc2ccc(C)cc2Br)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The InChIKey is YVFNIWLAFPUSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O5S/c1-6-27-18-10-8-15(12-19(18)29(25,26)23(4)5)22-20(24)14(3)28-17-9-7-13(2)11-16(17)21/h7-12,14H,6H2,1-5H3,(H,22,24).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide has a molecular weight of 485.40 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide is sourced from PubChem (CID 55773525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).