(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

C19H23BrN2O4S — CID 42427236

IUPAC(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-12-10-15(20)11-13(2)18(12)26-14(3)19(23)21-16-6-8-17(9-7-16)27(24,25)22(4)5/h6-11,14H,1-5H3,(H,21,23)/t14-/m0/s1
InChIKeyABFSCDPSFZXMGN-AWEZNQCLSA-N
MW455.37 g/mol
LogP3.72
Rot. Bonds6

About (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 42427236) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID42427236
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-12-10-15(20)11-13(2)18(12)26-14(3)19(23)21-16-6-8-17(9-7-16)27(24,25)22(4)5/h6-11,14H,1-5H3,(H,21,23)/t14-/m0/s1
InChIKeyABFSCDPSFZXMGN-AWEZNQCLSA-N
XLogP3.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 4961018
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
CID 17234385
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196225
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
4-[[[(2R)-2-(4-chloro-2,6-dimethylphenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 41101544
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 42427236) is (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is ABFSCDPSFZXMGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-12-10-15(20)11-13(2)18(12)26-14(3)19(23)21-16-6-8-17(9-7-16)27(24,25)22(4)5/h6-11,14H,1-5H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 455.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 42427236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).