2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide

C22H20ClFN2O4S — CID 124550833

IUPAC2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H20ClFN2O4S/c1-15(16-5-3-2-4-6-16)26-31(28,29)19-11-12-21(20(23)13-19)30-14-22(27)25-18-9-7-17(24)8-10-18/h2-13,15,26H,14H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyXEZHBAPBSOIABU-OAHLLOKOSA-N
MW462.93 g/mol
LogP4.54
Rot. Bonds8

About 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 124550833) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID124550833
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H20ClFN2O4S/c1-15(16-5-3-2-4-6-16)26-31(28,29)19-11-12-21(20(23)13-19)30-14-22(27)25-18-9-7-17(24)8-10-18/h2-13,15,26H,14H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyXEZHBAPBSOIABU-OAHLLOKOSA-N
XLogP4.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1264182
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 3969964

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 124550833) is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide is C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is XEZHBAPBSOIABU-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-15(16-5-3-2-4-6-16)26-31(28,29)19-11-12-21(20(23)13-19)30-14-22(27)25-18-9-7-17(24)8-10-18/h2-13,15,26H,14H2,1H3,(H,25,27)/t15-/m1/s1.
What are the key properties of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 462.93 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 124550833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).