N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide

C25H25FN2O4S — CID 41259338

IUPACN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2SCc2ccccc2F)cc1
InChIInChI=1S/C25H25FN2O4S/c1-3-31-19-12-14-20(15-13-19)32-17(2)24(29)27-28-25(30)21-9-5-7-11-23(21)33-16-18-8-4-6-10-22(18)26/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30)/t17-/m0/s1
InChIKeyOUEZHDQEXUIZGY-KRWDZBQOSA-N
MW468.55 g/mol
LogP4.75
Rot. Bonds9

About N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide

N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide (PubChem CID 41259338) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide
PubChem CID41259338
Molecular FormulaC25H25FN2O4S
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2SCc2ccccc2F)cc1
InChIInChI=1S/C25H25FN2O4S/c1-3-31-19-12-14-20(15-13-19)32-17(2)24(29)27-28-25(30)21-9-5-7-11-23(21)33-16-18-8-4-6-10-22(18)26/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30)/t17-/m0/s1
InChIKeyOUEZHDQEXUIZGY-KRWDZBQOSA-N
XLogP4.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9401790
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8573954
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide
CID 55883220
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
CID 9343633
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide (CID 41259338) is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2SCc2ccccc2F)cc1.
What is the InChIKey of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide?
The InChIKey is OUEZHDQEXUIZGY-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25FN2O4S/c1-3-31-19-12-14-20(15-13-19)32-17(2)24(29)27-28-25(30)21-9-5-7-11-23(21)33-16-18-8-4-6-10-22(18)26/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30)/t17-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide?
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide has a molecular weight of 468.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide is sourced from PubChem (CID 41259338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).