N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide

C18H20BrFN2O4S — CID 126212362

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C18H20BrFN2O4S/c1-3-12(2)22-27(24,25)15-7-5-14(6-8-15)26-11-18(23)21-17-9-4-13(19)10-16(17)20/h4-10,12,22H,3,11H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyVQSOFSGIVKQNER-GFCCVEGCSA-N
MW459.34 g/mol
LogP3.68
Rot. Bonds8

About N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide

N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide (PubChem CID 126212362) has the molecular formula C18H20BrFN2O4S and a molecular weight of 459.34 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
PubChem CID126212362
Molecular FormulaC18H20BrFN2O4S
Molecular Weight459.34 g/mol
Exact Mass458.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C18H20BrFN2O4S/c1-3-12(2)22-27(24,25)15-7-5-14(6-8-15)26-11-18(23)21-17-9-4-13(19)10-16(17)20/h4-10,12,22H,3,11H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyVQSOFSGIVKQNER-GFCCVEGCSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2947306
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126211996
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 126211529
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 126205366
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649274
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552786
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552789
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606415

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide (CID 126212362) is N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide is CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The InChIKey is VQSOFSGIVKQNER-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20BrFN2O4S/c1-3-12(2)22-27(24,25)15-7-5-14(6-8-15)26-11-18(23)21-17-9-4-13(19)10-16(17)20/h4-10,12,22H,3,11H2,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide has a molecular weight of 459.34 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126212362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).