2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide

C17H18N2O6S — CID 25114074

IUPAC2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide
SMILESCOc1cc(OC)c2c(c1)C(CC(=O)NO)N(c1ccccc1)S2(=O)=O
InChIInChI=1S/C17H18N2O6S/c1-24-12-8-13-14(10-16(20)18-21)19(11-6-4-3-5-7-11)26(22,23)17(13)15(9-12)25-2/h3-9,14,21H,10H2,1-2H3,(H,18,20)
InChIKeyBNEDZZNHVLDTPU-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.85
Rot. Bonds5

About 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide

2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide (PubChem CID 25114074) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide
PubChem CID25114074
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide
SMILESCOc1cc(OC)c2c(c1)C(CC(=O)NO)N(c1ccccc1)S2(=O)=O
InChIInChI=1S/C17H18N2O6S/c1-24-12-8-13-14(10-16(20)18-21)19(11-6-4-3-5-7-11)26(22,23)17(13)15(9-12)25-2/h3-9,14,21H,10H2,1-2H3,(H,18,20)
InChIKeyBNEDZZNHVLDTPU-UHFFFAOYSA-N
XLogP1.85
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide (CID 25114074) is 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide is COc1cc(OC)c2c(c1)C(CC(=O)NO)N(c1ccccc1)S2(=O)=O.
What is the InChIKey of 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide?
The InChIKey is BNEDZZNHVLDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-24-12-8-13-14(10-16(20)18-21)19(11-6-4-3-5-7-11)26(22,23)17(13)15(9-12)25-2/h3-9,14,21H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide?
2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide has a molecular weight of 378.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide is sourced from PubChem (CID 25114074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).