N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide

C16H16N2O5S — CID 25113848

IUPACN-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)NO)N(c1ccccc1)S2(=O)=O
InChIInChI=1S/C16H16N2O5S/c1-23-12-7-8-15-13(9-12)14(10-16(19)17-20)18(24(15,21)22)11-5-3-2-4-6-11/h2-9,14,20H,10H2,1H3,(H,17,19)
InChIKeyFVWNYSSKLWGHHK-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.84
Rot. Bonds4

About N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide

N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide (PubChem CID 25113848) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide
PubChem CID25113848
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)NO)N(c1ccccc1)S2(=O)=O
InChIInChI=1S/C16H16N2O5S/c1-23-12-7-8-15-13(9-12)14(10-16(19)17-20)18(24(15,21)22)11-5-3-2-4-6-11/h2-9,14,20H,10H2,1H3,(H,17,19)
InChIKeyFVWNYSSKLWGHHK-UHFFFAOYSA-N
XLogP1.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide?
The IUPAC name of N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide (CID 25113848) is N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide is COc1ccc2c(c1)C(CC(=O)NO)N(c1ccccc1)S2(=O)=O.
What is the InChIKey of N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide?
The InChIKey is FVWNYSSKLWGHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-12-7-8-15-13(9-12)14(10-16(19)17-20)18(24(15,21)22)11-5-3-2-4-6-11/h2-9,14,20H,10H2,1H3,(H,17,19).
What are the key properties of N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide?
N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide has a molecular weight of 348.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 25113848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).