N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide

C18H20FN3O6S2 — CID 25161889

IUPACN'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C18H20FN3O6S2/c19-13-2-1-3-14(10-13)28-12-17(24)21-20-16(23)11-15-4-5-18(29-15)30(25,26)22-6-8-27-9-7-22/h1-5,10H,6-9,11-12H2,(H,20,23)(H,21,24)
InChIKeyRITSUZKEHZZLRJ-UHFFFAOYSA-N
MW457.51 g/mol
LogP0.68
Rot. Bonds7

About N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide

N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide (PubChem CID 25161889) has the molecular formula C18H20FN3O6S2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide
PubChem CID25161889
Molecular FormulaC18H20FN3O6S2
Molecular Weight457.51 g/mol
Exact Mass457.08
IUPAC NameN'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C18H20FN3O6S2/c19-13-2-1-3-14(10-13)28-12-17(24)21-20-16(23)11-15-4-5-18(29-15)30(25,26)22-6-8-27-9-7-22/h1-5,10H,6-9,11-12H2,(H,20,23)(H,21,24)
InChIKeyRITSUZKEHZZLRJ-UHFFFAOYSA-N
XLogP0.68
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 50.68
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-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(3-fluorophenoxy)acetamide
CID 42989229
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
[2-oxo-2-(3-phenoxyanilino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23995644
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31916016
N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 9344100
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23847849
(2,6-dimethylphenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 8765732
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 137331342
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 41247942
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide?
The IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide (CID 25161889) is N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide is O=C(COc1cccc(F)c1)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide?
The InChIKey is RITSUZKEHZZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O6S2/c19-13-2-1-3-14(10-13)28-12-17(24)21-20-16(23)11-15-4-5-18(29-15)30(25,26)22-6-8-27-9-7-22/h1-5,10H,6-9,11-12H2,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide?
N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide has a molecular weight of 457.51 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide is sourced from PubChem (CID 25161889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).