2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide

C20H22Cl2N2O5S — CID 43873731

IUPAC2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O5S/c1-14(15-2-4-16(21)5-3-15)23-20(25)13-29-19-7-6-17(12-18(19)22)30(26,27)24-8-10-28-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyLCKUMOVQJMBJIH-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.27
Rot. Bonds7

About 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 43873731) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID43873731
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O5S/c1-14(15-2-4-16(21)5-3-15)23-20(25)13-29-19-7-6-17(12-18(19)22)30(26,27)24-8-10-28-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyLCKUMOVQJMBJIH-UHFFFAOYSA-N
XLogP3.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43873738
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28555911
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7639683
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28555474
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555994
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1S)-1-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 28551652
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 55397390

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 43873731) is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide is CC(NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is LCKUMOVQJMBJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c1-14(15-2-4-16(21)5-3-15)23-20(25)13-29-19-7-6-17(12-18(19)22)30(26,27)24-8-10-28-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 473.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 43873731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).