N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide

C20H16N2O3S — CID 155536301

IUPACN-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3S(=O)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O3S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)26(25)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
InChIKeyPXJSYQWAMWAEEN-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.62
Rot. Bonds3

About N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide

N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide (PubChem CID 155536301) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide
PubChem CID155536301
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3S(=O)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O3S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)26(25)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
InChIKeyPXJSYQWAMWAEEN-UHFFFAOYSA-N
XLogP3.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.62
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'}

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Related Compounds

4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide
CID 118650708
(11R)-N,5-bis[(4-chlorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 98208023
N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide
CID 155516456
N,5-bis[(4-fluorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 20860952
methyl (11S)-5-[(4-chlorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxylate
CID 92695017
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669332
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
(11S)-5-[(4-chlorophenyl)methyl]-6,11-dioxo-N-propylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92662862
N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889592
5-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 20860890
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide (CID 155536301) is N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide is O=C(NO)c1ccc(CN2c3ccccc3S(=O)c3ccccc32)cc1.
What is the InChIKey of N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide?
The InChIKey is PXJSYQWAMWAEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)26(25)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23).
What are the key properties of N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide?
N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide has a molecular weight of 364.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide is sourced from PubChem (CID 155536301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).