N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide

C17H16N4O4S — CID 11303267

IUPACN-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(CC1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO
InChIInChI=1S/C17H16N4O4S/c22-15(20-25)9-13-17(24)21(11-5-1-2-6-12(11)26-13)10-16(23)19-14-7-3-4-8-18-14/h1-8,13,25H,9-10H2,(H,20,22)(H,18,19,23)
InChIKeyZYGKBGJUEQILRZ-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.42
Rot. Bonds5

About N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide

N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide (PubChem CID 11303267) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide
PubChem CID11303267
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(CC1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO
InChIInChI=1S/C17H16N4O4S/c22-15(20-25)9-13-17(24)21(11-5-1-2-6-12(11)26-13)10-16(23)19-14-7-3-4-8-18-14/h1-8,13,25H,9-10H2,(H,20,22)(H,18,19,23)
InChIKeyZYGKBGJUEQILRZ-UHFFFAOYSA-N
XLogP1.42
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.42
H-Bond Donors ≤ 53
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'}

Analyze N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide 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-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide (CID 11303267) is N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide is O=C(CC1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO.
What is the InChIKey of N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is ZYGKBGJUEQILRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-15(20-25)9-13-17(24)21(11-5-1-2-6-12(11)26-13)10-16(23)19-14-7-3-4-8-18-14/h1-8,13,25H,9-10H2,(H,20,22)(H,18,19,23).
What are the key properties of N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide?
N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 372.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 11303267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).