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

C15H20N2O3S — CID 11301293

IUPACN-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide
SMILESCC(C)CCN1C(=O)C(CC(=O)NO)Sc2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-10(2)7-8-17-11-5-3-4-6-12(11)21-13(15(17)19)9-14(18)16-20/h3-6,10,13,20H,7-9H2,1-2H3,(H,16,18)
InChIKeyJGRZCAWQCVDBTJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.44
Rot. Bonds5

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

N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide (PubChem CID 11301293) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide
PubChem CID11301293
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide
SMILESCC(C)CCN1C(=O)C(CC(=O)NO)Sc2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-10(2)7-8-17-11-5-3-4-6-12(11)21-13(15(17)19)9-14(18)16-20/h3-6,10,13,20H,7-9H2,1-2H3,(H,16,18)
InChIKeyJGRZCAWQCVDBTJ-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(3-methylbutyl)-3-oxo-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-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide (CID 11301293) is N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide is CC(C)CCN1C(=O)C(CC(=O)NO)Sc2ccccc21.
What is the InChIKey of N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is JGRZCAWQCVDBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)7-8-17-11-5-3-4-6-12(11)21-13(15(17)19)9-14(18)16-20/h3-6,10,13,20H,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide?
N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 308.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(3-methylbutyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 11301293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).