N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide

C17H26N2O4S — CID 43060076

IUPACN'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCCCSCC(=O)NNC(=O)C(C)Oc1ccc(OCC)cc1
InChIInChI=1S/C17H26N2O4S/c1-4-6-11-24-12-16(20)18-19-17(21)13(3)23-15-9-7-14(8-10-15)22-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyIPGSWKZKLWHWJJ-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.53
Rot. Bonds10

About N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide

N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide (PubChem CID 43060076) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
PubChem CID43060076
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCCCSCC(=O)NNC(=O)C(C)Oc1ccc(OCC)cc1
InChIInChI=1S/C17H26N2O4S/c1-4-6-11-24-12-16(20)18-19-17(21)13(3)23-15-9-7-14(8-10-15)22-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyIPGSWKZKLWHWJJ-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
CID 43056945
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56546251
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea
CID 8768164
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(3-methylsulfanylpropyl)thiourea
CID 8768211
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide
CID 9343061
(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
(2S)-N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9088700
(2S)-2-(4-ethoxyphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 8960553

Frequently Asked Questions

What is the IUPAC name of N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide?
The IUPAC name of N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide (CID 43060076) is N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide is CCCCSCC(=O)NNC(=O)C(C)Oc1ccc(OCC)cc1.
What is the InChIKey of N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide?
The InChIKey is IPGSWKZKLWHWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-6-11-24-12-16(20)18-19-17(21)13(3)23-15-9-7-14(8-10-15)22-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide?
N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide has a molecular weight of 354.47 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide is sourced from PubChem (CID 43060076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).