N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide

C19H20N2O4S — CID 42888277

IUPACN'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide
SMILESO=C(CC1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4S/c22-18(12-14-10-11-26(24,25)13-14)20-21-19(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,20,22)(H,21,23)
InChIKeyYSYAHONEAUWXQY-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.94
Rot. Bonds4

About N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide

N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide (PubChem CID 42888277) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide
PubChem CID42888277
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide
SMILESO=C(CC1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4S/c22-18(12-14-10-11-26(24,25)13-14)20-21-19(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,20,22)(H,21,23)
InChIKeyYSYAHONEAUWXQY-UHFFFAOYSA-N
XLogP1.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide 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

N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-propan-2-ylbenzohydrazide
CID 8938663
4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 36750167
2-benzoyl-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938591
2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938593
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-phenoxybenzohydrazide
CID 8938684
3-bromo-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide
CID 46464008
3-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938641
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-fluoro-4-methylbenzohydrazide
CID 8940088
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-fluoro-4-methylbenzohydrazide
CID 8940091
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 46463544
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2,2-diphenylacetohydrazide
CID 55416475
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 8940181

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide (CID 42888277) is N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide is O=C(CC1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide?
The InChIKey is YSYAHONEAUWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c22-18(12-14-10-11-26(24,25)13-14)20-21-19(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide?
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide has a molecular weight of 372.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 42888277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).