2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide

C16H23N3O5S — CID 43056945

IUPAC2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)CCSCC(N)=O)cc1
InChIInChI=1S/C16H23N3O5S/c1-3-23-12-4-6-13(7-5-12)24-11(2)16(22)19-18-15(21)8-9-25-10-14(17)20/h4-7,11H,3,8-10H2,1-2H3,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyFULZCECADVNKJF-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.61
Rot. Bonds10

About 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide

2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide (PubChem CID 43056945) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
PubChem CID43056945
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)CCSCC(N)=O)cc1
InChIInChI=1S/C16H23N3O5S/c1-3-23-12-4-6-13(7-5-12)24-11(2)16(22)19-18-15(21)8-9-25-10-14(17)20/h4-7,11H,3,8-10H2,1-2H3,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyFULZCECADVNKJF-UHFFFAOYSA-N
XLogP0.61
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 43060076
(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide
CID 9343061
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56546251
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
(2S)-2-(4-ethoxyphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 8960553
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide?
The IUPAC name of 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide (CID 43056945) is 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide.
What is the SMILES notation for 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide?
The canonical SMILES for 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide is CCOc1ccc(OC(C)C(=O)NNC(=O)CCSCC(N)=O)cc1.
What is the InChIKey of 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide?
The InChIKey is FULZCECADVNKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-3-23-12-4-6-13(7-5-12)24-11(2)16(22)19-18-15(21)8-9-25-10-14(17)20/h4-7,11H,3,8-10H2,1-2H3,(H2,17,20)(H,18,21)(H,19,22).
What are the key properties of 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide?
2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide has a molecular weight of 369.44 g/mol, XLogP of 0.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide is sourced from PubChem (CID 43056945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).