2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide

C20H25ClN2O4S — CID 43889255

IUPAC2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-13-17(21)11-12-18(19)27-14-20(24)22-15(3)16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyXDEHORYHEJCTFN-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.63
Rot. Bonds9

About 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide

2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide (PubChem CID 43889255) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide
PubChem CID43889255
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-13-17(21)11-12-18(19)27-14-20(24)22-15(3)16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyXDEHORYHEJCTFN-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30145867
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 30145706
2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7991131
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-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510286
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 55319718
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 55313748
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94861549

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide (CID 43889255) is 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide is CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide?
The InChIKey is XDEHORYHEJCTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-13-17(21)11-12-18(19)27-14-20(24)22-15(3)16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide?
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43889255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).