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

C21H25ClN2O5S2 — CID 43873738

IUPAC2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C21H25ClN2O5S2/c1-15(16-3-5-17(30-2)6-4-16)23-21(25)14-29-20-8-7-18(13-19(20)22)31(26,27)24-9-11-28-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyOZWVWRBGCVTWEA-UHFFFAOYSA-N
MW485.03 g/mol
LogP3.34
Rot. Bonds8

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

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 43873738) has the molecular formula C21H25ClN2O5S2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID43873738
Molecular FormulaC21H25ClN2O5S2
Molecular Weight485.03 g/mol
Exact Mass484.09
IUPAC Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C21H25ClN2O5S2/c1-15(16-3-5-17(30-2)6-4-16)23-21(25)14-29-20-8-7-18(13-19(20)22)31(26,27)24-9-11-28-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyOZWVWRBGCVTWEA-UHFFFAOYSA-N
XLogP3.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-chlorophenyl)ethyl]acetamide
CID 43873731
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 28557563
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 46440609
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7639683
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554554
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
CID 43873075
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28555474
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555994

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (CID 43873738) is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is OZWVWRBGCVTWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S2/c1-15(16-3-5-17(30-2)6-4-16)23-21(25)14-29-20-8-7-18(13-19(20)22)31(26,27)24-9-11-28-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 485.03 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 43873738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).