N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

C28H25ClN2O5S — CID 126251916

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H25ClN2O5S/c1-20(21-8-4-2-5-9-21)31-37(33,34)25-15-13-23(14-16-25)35-19-28(32)30-26-18-22(29)12-17-27(26)36-24-10-6-3-7-11-24/h2-18,20,31H,19H2,1H3,(H,30,32)/t20-/m1/s1
InChIKeyYJIIMBKTGZQDJN-HXUWFJFHSA-N
MW537.04 g/mol
LogP6.19
Rot. Bonds10

About N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 126251916) has the molecular formula C28H25ClN2O5S and a molecular weight of 537.04 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID126251916
Molecular FormulaC28H25ClN2O5S
Molecular Weight537.04 g/mol
Exact Mass536.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H25ClN2O5S/c1-20(21-8-4-2-5-9-21)31-37(33,34)25-15-13-23(14-16-25)35-19-28(32)30-26-18-22(29)12-17-27(26)36-24-10-6-3-7-11-24/h2-18,20,31H,19H2,1H3,(H,30,32)/t20-/m1/s1
InChIKeyYJIIMBKTGZQDJN-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

N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917
2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126235503
N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126383436
N-(2,3-dichlorophenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152019
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
N-(2-ethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1319406
N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2942339
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1006992
N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2947306
N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126150148
N-(2,3-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126140739

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 126251916) is N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is YJIIMBKTGZQDJN-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H25ClN2O5S/c1-20(21-8-4-2-5-9-21)31-37(33,34)25-15-13-23(14-16-25)35-19-28(32)30-26-18-22(29)12-17-27(26)36-24-10-6-3-7-11-24/h2-18,20,31H,19H2,1H3,(H,30,32)/t20-/m1/s1.
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]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 N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126251916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).