2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

C18H20BrClN2O5S — CID 24647615

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C18H20BrClN2O5S/c1-11(27-16-7-5-12(20)9-14(16)19)18(23)21-15-10-13(6-8-17(15)26-4)28(24,25)22(2)3/h5-11H,1-4H3,(H,21,23)
InChIKeyWWRKEBNLDSDRLJ-UHFFFAOYSA-N
MW491.79 g/mol
LogP3.77
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 24647615) has the molecular formula C18H20BrClN2O5S and a molecular weight of 491.79 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID24647615
Molecular FormulaC18H20BrClN2O5S
Molecular Weight491.79 g/mol
Exact Mass490.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C18H20BrClN2O5S/c1-11(27-16-7-5-12(20)9-14(16)19)18(23)21-15-10-13(6-8-17(15)26-4)28(24,25)22(2)3/h5-11H,1-4H3,(H,21,23)
InChIKeyWWRKEBNLDSDRLJ-UHFFFAOYSA-N
XLogP3.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320
(2S)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838711
(2R)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838712
2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 16528143
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 3950317
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 2969227
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 24647615) is 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is WWRKEBNLDSDRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O5S/c1-11(27-16-7-5-12(20)9-14(16)19)18(23)21-15-10-13(6-8-17(15)26-4)28(24,25)22(2)3/h5-11H,1-4H3,(H,21,23).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 491.79 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 24647615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).