2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide

C20H20N2O5S — CID 8938593

IUPAC2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
SMILESO=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H20N2O5S/c23-18(12-14-10-11-28(26,27)13-14)21-22-20(25)17-9-5-4-8-16(17)19(24)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,23)(H,22,25)/t14-/m1/s1
InChIKeyFPFUXHDPTXUHRE-CQSZACIVSA-N
MW400.46 g/mol
LogP1.50
Rot. Bonds5

About 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide

2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide (PubChem CID 8938593) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
PubChem CID8938593
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
SMILESO=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H20N2O5S/c23-18(12-14-10-11-28(26,27)13-14)21-22-20(25)17-9-5-4-8-16(17)19(24)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,23)(H,22,25)/t14-/m1/s1
InChIKeyFPFUXHDPTXUHRE-CQSZACIVSA-N
XLogP1.50
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.50
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

2-benzoyl-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938591
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide
CID 42888277
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-(1,1-dioxothiolan-3-yl)acetyl]-2,2-diphenylacetohydrazide
CID 55416475
4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 36750167
(E)-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-phenylprop-2-enehydrazide
CID 8938629
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-propan-2-ylbenzohydrazide
CID 8938663
[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559345
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 8865960
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-fluoro-4-methylbenzohydrazide
CID 8940088

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide?
The IUPAC name of 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide (CID 8938593) is 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide.
What is the SMILES notation for 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide?
The canonical SMILES for 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide is O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide?
The InChIKey is FPFUXHDPTXUHRE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O5S/c23-18(12-14-10-11-28(26,27)13-14)21-22-20(25)17-9-5-4-8-16(17)19(24)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,23)(H,22,25)/t14-/m1/s1.
What are the key properties of 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide?
2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide has a molecular weight of 400.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide is sourced from PubChem (CID 8938593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).