2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C24H23BrN2O5S — CID 4960655

IUPAC2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H23BrN2O5S/c25-22-16-19(18-4-2-1-3-5-18)6-11-23(22)32-17-24(28)26-20-7-9-21(10-8-20)33(29,30)27-12-14-31-15-13-27/h1-11,16H,12-15,17H2,(H,26,28)
InChIKeyBSMMTYYHBCCHFO-UHFFFAOYSA-N
MW531.43 g/mol
LogP4.15
Rot. Bonds7

About 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4960655) has the molecular formula C24H23BrN2O5S and a molecular weight of 531.43 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4960655
Molecular FormulaC24H23BrN2O5S
Molecular Weight531.43 g/mol
Exact Mass530.05
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H23BrN2O5S/c25-22-16-19(18-4-2-1-3-5-18)6-11-23(22)32-17-24(28)26-20-7-9-21(10-8-20)33(29,30)27-12-14-31-15-13-27/h1-11,16H,12-15,17H2,(H,26,28)
InChIKeyBSMMTYYHBCCHFO-UHFFFAOYSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 4960734
2-(2-bromo-4-phenylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 17194781
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
2-(2-bromo-4-phenylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 4960710
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
2-(2-phenylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 26252662

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 4960655) is 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is BSMMTYYHBCCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O5S/c25-22-16-19(18-4-2-1-3-5-18)6-11-23(22)32-17-24(28)26-20-7-9-21(10-8-20)33(29,30)27-12-14-31-15-13-27/h1-11,16H,12-15,17H2,(H,26,28).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 531.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4960655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).