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

C28H25ClN2O5S — CID 124554917

IUPAC2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C28H25ClN2O5S/c1-20(21-10-4-2-5-11-21)31-37(33,34)23-16-17-26(24(29)18-23)35-19-28(32)30-25-14-8-9-15-27(25)36-22-12-6-3-7-13-22/h2-18,20,31H,19H2,1H3,(H,30,32)/t20-/m1/s1
InChIKeyFYDWWZRUEIWENH-HXUWFJFHSA-N
MW537.04 g/mol
LogP6.19
Rot. Bonds10

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

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide (PubChem CID 124554917) has the molecular formula C28H25ClN2O5S and a molecular weight of 537.04 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
PubChem CID124554917
Molecular FormulaC28H25ClN2O5S
Molecular Weight537.04 g/mol
Exact Mass536.12
IUPAC Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C28H25ClN2O5S/c1-20(21-10-4-2-5-11-21)31-37(33,34)23-16-17-26(24(29)18-23)35-19-28(32)30-25-14-8-9-15-27(25)36-22-12-6-3-7-13-22/h2-18,20,31H,19H2,1H3,(H,30,32)/t20-/m1/s1
InChIKeyFYDWWZRUEIWENH-HXUWFJFHSA-N
XLogP6.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.04
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251916
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
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 124549037
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide (CID 124554917) is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide is C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is FYDWWZRUEIWENH-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H25ClN2O5S/c1-20(21-10-4-2-5-11-21)31-37(33,34)23-16-17-26(24(29)18-23)35-19-28(32)30-25-14-8-9-15-27(25)36-22-12-6-3-7-13-22/h2-18,20,31H,19H2,1H3,(H,30,32)/t20-/m1/s1.
What are the key properties of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide?
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 537.04 g/mol, XLogP of 6.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 124554917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).