[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate

C19H19ClN2O4S — CID 7752645

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
SMILESCC(=O)NNC(=O)COC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4S/c1-13(23)21-22-17(24)11-26-18(25)12-27-19(14-5-3-2-4-6-14)15-7-9-16(20)10-8-15/h2-10,19H,11-12H2,1H3,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyYOZRFKLFNDVJML-IBGZPJMESA-N
MW406.89 g/mol
LogP2.87
Rot. Bonds7

About [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate

[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate (PubChem CID 7752645) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
PubChem CID7752645
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
SMILESCC(=O)NNC(=O)COC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4S/c1-13(23)21-22-17(24)11-26-18(25)12-27-19(14-5-3-2-4-6-14)15-7-9-16(20)10-8-15/h2-10,19H,11-12H2,1H3,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyYOZRFKLFNDVJML-IBGZPJMESA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate 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-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752701
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133203
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752693
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321562
1-[bis(4-chlorophenyl)methylsulfanyl]propan-2-one
CID 22049857
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate (CID 7752645) is [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate is CC(=O)NNC(=O)COC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate?
The InChIKey is YOZRFKLFNDVJML-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-13(23)21-22-17(24)11-26-18(25)12-27-19(14-5-3-2-4-6-14)15-7-9-16(20)10-8-15/h2-10,19H,11-12H2,1H3,(H,21,23)(H,22,24)/t19-/m0/s1.
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate?
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate has a molecular weight of 406.89 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate is sourced from PubChem (CID 7752645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).