N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide

C18H20FN3O6S — CID 24638338

IUPACN-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O6S/c1-12(28-15-5-3-13(19)4-6-15)18(24)22-21-17(23)11-20-29(25,26)16-9-7-14(27-2)8-10-16/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyALIYGPZRXQPYJL-UHFFFAOYSA-N
MW425.44 g/mol
LogP0.73
Rot. Bonds8

About N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide

N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide (PubChem CID 24638338) has the molecular formula C18H20FN3O6S and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
PubChem CID24638338
Molecular FormulaC18H20FN3O6S
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC NameN-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O6S/c1-12(28-15-5-3-13(19)4-6-15)18(24)22-21-17(23)11-20-29(25,26)16-9-7-14(27-2)8-10-16/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyALIYGPZRXQPYJL-UHFFFAOYSA-N
XLogP0.73
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[2-(2,4-dimethoxyphenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 46521372
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 112994890
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43005498
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091757
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
N'-(2-ethoxyacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17140896
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4953442
(2S)-2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 9237683

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide (CID 24638338) is N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The InChIKey is ALIYGPZRXQPYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O6S/c1-12(28-15-5-3-13(19)4-6-15)18(24)22-21-17(23)11-20-29(25,26)16-9-7-14(27-2)8-10-16/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide has a molecular weight of 425.44 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 24638338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).