2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide

C21H24FN3O7S — CID 132780206

IUPAC2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOC(COc2ccc(F)cc2)(CC(N)=O)C1
InChIInChI=1S/C21H24FN3O7S/c1-30-18-7-6-16(33(24,28)29)10-17(18)20(27)25-8-9-32-21(12-25,11-19(23)26)13-31-15-4-2-14(22)3-5-15/h2-7,10H,8-9,11-13H2,1H3,(H2,23,26)(H2,24,28,29)
InChIKeyWUVGDJREQLIKHE-UHFFFAOYSA-N
MW481.50 g/mol
LogP0.65
Rot. Bonds8

About 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide

2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide (PubChem CID 132780206) has the molecular formula C21H24FN3O7S and a molecular weight of 481.50 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide
PubChem CID132780206
Molecular FormulaC21H24FN3O7S
Molecular Weight481.50 g/mol
Exact Mass481.13
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOC(COc2ccc(F)cc2)(CC(N)=O)C1
InChIInChI=1S/C21H24FN3O7S/c1-30-18-7-6-16(33(24,28)29)10-17(18)20(27)25-8-9-32-21(12-25,11-19(23)26)13-31-15-4-2-14(22)3-5-15/h2-7,10H,8-9,11-13H2,1H3,(H2,23,26)(H2,24,28,29)
InChIKeyWUVGDJREQLIKHE-UHFFFAOYSA-N
XLogP0.65
TPSA151.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide
CID 132765746
N-benzyl-2-[2-[(4-chloro-3-methylphenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]-N-methylacetamide
CID 132769688
2-[2-[(4-fluorophenoxy)methyl]-4-(pyridine-2-carbonyl)morpholin-2-yl]acetamide
CID 132771130
4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide
CID 127247682
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid
CID 70715759
2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide
CID 132766305
4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 72930852
4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576893
3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7964817
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide (CID 132780206) is 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOC(COc2ccc(F)cc2)(CC(N)=O)C1.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide?
The InChIKey is WUVGDJREQLIKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O7S/c1-30-18-7-6-16(33(24,28)29)10-17(18)20(27)25-8-9-32-21(12-25,11-19(23)26)13-31-15-4-2-14(22)3-5-15/h2-7,10H,8-9,11-13H2,1H3,(H2,23,26)(H2,24,28,29).
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide?
2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide has a molecular weight of 481.50 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide is sourced from PubChem (CID 132780206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).