2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide

C18H20N2O4S — CID 5085246

IUPAC2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C18H20N2O4S/c21-17(10-13-8-9-25(23,24)12-13)19-20-18(22)11-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13H,8-12H2,(H,19,21)(H,20,22)
InChIKeySLLAZFLIMVNHFD-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.35
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide

2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide (PubChem CID 5085246) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
PubChem CID5085246
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C18H20N2O4S/c21-17(10-13-8-9-25(23,24)12-13)19-20-18(22)11-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13H,8-12H2,(H,19,21)(H,20,22)
InChIKeySLLAZFLIMVNHFD-UHFFFAOYSA-N
XLogP1.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide (CID 5085246) is 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide is O=C(Cc1cccc2ccccc12)NNC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide?
The InChIKey is SLLAZFLIMVNHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-17(10-13-8-9-25(23,24)12-13)19-20-18(22)11-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13H,8-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide?
2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide has a molecular weight of 360.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide is sourced from PubChem (CID 5085246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).