N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide

C22H28FN3O4S — CID 4619685

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C22H28FN3O4S/c1-3-26(4-2)31(28,29)18-9-10-21(25-11-13-30-14-12-25)20(16-18)24-22(27)15-17-7-5-6-8-19(17)23/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,27)
InChIKeyMKSVJFKHLCXGMT-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.87
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 4619685) has the molecular formula C22H28FN3O4S and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide
PubChem CID4619685
Molecular FormulaC22H28FN3O4S
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C22H28FN3O4S/c1-3-26(4-2)31(28,29)18-9-10-21(25-11-13-30-14-12-25)20(16-18)24-22(27)15-17-7-5-6-8-19(17)23/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,27)
InChIKeyMKSVJFKHLCXGMT-UHFFFAOYSA-N
XLogP2.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2811587
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CID 1010558
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CID 2123914
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CID 3519434
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CID 3898052
CID 3898052
CID 3959591
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CID 4173596
CID 4173596
CID 4296426
CID 4296426
CID 6245900
CID 6245900
CID 6457724
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CID 1071416
CID 1071416
CID 1138680
CID 1138680

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide (CID 4619685) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2F)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is MKSVJFKHLCXGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S/c1-3-26(4-2)31(28,29)18-9-10-21(25-11-13-30-14-12-25)20(16-18)24-22(27)15-17-7-5-6-8-19(17)23/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 449.55 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4619685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).