N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide

C19H22N2O4S — CID 8573954

IUPACN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-24-15-7-9-16(10-8-15)25-13(2)18(22)20-21-19(23)14-5-11-17(26-3)12-6-14/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyAGNMVRJDVYXHMH-ZDUSSCGKSA-N
MW374.46 g/mol
LogP3.04
Rot. Bonds7

About N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide

N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide (PubChem CID 8573954) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
PubChem CID8573954
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-24-15-7-9-16(10-8-15)25-13(2)18(22)20-21-19(23)14-5-11-17(26-3)12-6-14/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyAGNMVRJDVYXHMH-ZDUSSCGKSA-N
XLogP3.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.04
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]-4-methylsulfanylbenzohydrazide 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

methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N-[(2R)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 7479586
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9343683
N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 55835190
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
5-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N,N-diethyl-2-fluorobenzenesulfonamide
CID 55343944
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide (CID 8573954) is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide?
The InChIKey is AGNMVRJDVYXHMH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-24-15-7-9-16(10-8-15)25-13(2)18(22)20-21-19(23)14-5-11-17(26-3)12-6-14/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide?
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide has a molecular weight of 374.46 g/mol, XLogP of 3.04, 7 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]-4-methylsulfanylbenzohydrazide is sourced from PubChem (CID 8573954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).