N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide

C19H21ClN2O4S — CID 31307704

IUPACN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O4S/c1-2-25-16-8-3-4-9-17(16)26-11-18(23)21-22-19(24)13-27-12-14-6-5-7-15(20)10-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyHEDPJAYQGGLGSC-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.20
Rot. Bonds9

About N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide

N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide (PubChem CID 31307704) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide
PubChem CID31307704
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O4S/c1-2-25-16-8-3-4-9-17(16)26-11-18(23)21-22-19(24)13-27-12-14-6-5-7-15(20)10-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyHEDPJAYQGGLGSC-UHFFFAOYSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 9471896
1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide
CID 134018216
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9475924
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689068
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 46469912
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
benzyl 2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 2608857
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide?
The IUPAC name of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide (CID 31307704) is N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)CSCc1cccc(Cl)c1.
What is the InChIKey of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide?
The InChIKey is HEDPJAYQGGLGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-2-25-16-8-3-4-9-17(16)26-11-18(23)21-22-19(24)13-27-12-14-6-5-7-15(20)10-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide?
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide has a molecular weight of 408.91 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide is sourced from PubChem (CID 31307704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).