2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide

C24H23ClN2O5S2 — CID 30147319

IUPAC2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C24H23ClN2O5S2/c25-18-10-11-21(23(16-18)34(29,30)27-12-14-31-15-13-27)32-17-24(28)26-20-8-4-5-9-22(20)33-19-6-2-1-3-7-19/h1-11,16H,12-15,17H2,(H,26,28)
InChIKeyIRRZEKHKRVMMLC-UHFFFAOYSA-N
MW519.04 g/mol
LogP4.53
Rot. Bonds8

About 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 30147319) has the molecular formula C24H23ClN2O5S2 and a molecular weight of 519.04 g/mol. Its IUPAC name is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID30147319
Molecular FormulaC24H23ClN2O5S2
Molecular Weight519.04 g/mol
Exact Mass518.07
IUPAC Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C24H23ClN2O5S2/c25-18-10-11-21(23(16-18)34(29,30)27-12-14-31-15-13-27)32-17-24(28)26-20-8-4-5-9-22(20)33-19-6-2-1-3-7-19/h1-11,16H,12-15,17H2,(H,26,28)
InChIKeyIRRZEKHKRVMMLC-UHFFFAOYSA-N
XLogP4.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.04
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30147474
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 30147094
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 92647718
N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647698
2-(2,4-dichlorophenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
CID 55899065
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 126274408

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide (CID 30147319) is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide is O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is IRRZEKHKRVMMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S2/c25-18-10-11-21(23(16-18)34(29,30)27-12-14-31-15-13-27)32-17-24(28)26-20-8-4-5-9-22(20)33-19-6-2-1-3-7-19/h1-11,16H,12-15,17H2,(H,26,28).
What are the key properties of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 519.04 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 30147319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).