N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide

C17H15N3O5S — CID 2250834

IUPACN-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide
SMILESO=C(NCCOC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O5S/c21-15(16(22)19-12-6-2-1-3-7-12)18-10-11-25-17-13-8-4-5-9-14(13)26(23,24)20-17/h1-9H,10-11H2,(H,18,21)(H,19,22)
InChIKeyYFEJJFZVNYTVCS-UHFFFAOYSA-N
MW373.39 g/mol
LogP0.91
Rot. Bonds4

About N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide

N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide (PubChem CID 2250834) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide
PubChem CID2250834
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide
SMILESO=C(NCCOC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O5S/c21-15(16(22)19-12-6-2-1-3-7-12)18-10-11-25-17-13-8-4-5-9-14(13)26(23,24)20-17/h1-9H,10-11H2,(H,18,21)(H,19,22)
InChIKeyYFEJJFZVNYTVCS-UHFFFAOYSA-N
XLogP0.91
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide?
The IUPAC name of N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide (CID 2250834) is N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide.
What is the SMILES notation for N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide?
The canonical SMILES for N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide is O=C(NCCOC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1.
What is the InChIKey of N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide?
The InChIKey is YFEJJFZVNYTVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c21-15(16(22)19-12-6-2-1-3-7-12)18-10-11-25-17-13-8-4-5-9-14(13)26(23,24)20-17/h1-9H,10-11H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide?
N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide has a molecular weight of 373.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide is sourced from PubChem (CID 2250834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).