N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide

C21H24FN3O7S — CID 4847004

IUPACN'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24FN3O7S/c1-30-18-7-2-15(12-19(18)33(28,29)25-8-10-31-11-9-25)13-20(26)23-24-21(27)14-32-17-5-3-16(22)4-6-17/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyAYTHOYHBFGADRT-UHFFFAOYSA-N
MW481.50 g/mol
LogP0.62
Rot. Bonds8

About N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide

N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide (PubChem CID 4847004) has the molecular formula C21H24FN3O7S and a molecular weight of 481.50 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
PubChem CID4847004
Molecular FormulaC21H24FN3O7S
Molecular Weight481.50 g/mol
Exact Mass481.13
IUPAC NameN'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24FN3O7S/c1-30-18-7-2-15(12-19(18)33(28,29)25-8-10-31-11-9-25)13-20(26)23-24-21(27)14-32-17-5-3-16(22)4-6-17/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyAYTHOYHBFGADRT-UHFFFAOYSA-N
XLogP0.62
TPSA123.27 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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30860230
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide (CID 4847004) is N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide is COc1ccc(CC(=O)NNC(=O)COc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide?
The InChIKey is AYTHOYHBFGADRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O7S/c1-30-18-7-2-15(12-19(18)33(28,29)25-8-10-31-11-9-25)13-20(26)23-24-21(27)14-32-17-5-3-16(22)4-6-17/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide?
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide has a molecular weight of 481.50 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide is sourced from PubChem (CID 4847004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).