N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide

C21H18N2O2S — CID 155547046

IUPACN-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide
SMILESO=C(NO)c1ccc(CCN2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H18N2O2S/c24-21(22-25)16-11-9-15(10-12-16)13-14-23-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)23/h1-12,25H,13-14H2,(H,22,24)
InChIKeyDLOYKPSOPLAKIK-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.65
Rot. Bonds4

About N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide

N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide (PubChem CID 155547046) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide
PubChem CID155547046
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide
SMILESO=C(NO)c1ccc(CCN2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H18N2O2S/c24-21(22-25)16-11-9-15(10-12-16)13-14-23-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)23/h1-12,25H,13-14H2,(H,22,24)
InChIKeyDLOYKPSOPLAKIK-UHFFFAOYSA-N
XLogP4.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'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-4-(2-phenothiazin-10-ylethyl)benzamide?
The IUPAC name of N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide (CID 155547046) is N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide is O=C(NO)c1ccc(CCN2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide?
The InChIKey is DLOYKPSOPLAKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-21(22-25)16-11-9-15(10-12-16)13-14-23-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)23/h1-12,25H,13-14H2,(H,22,24).
What are the key properties of N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide?
N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(2-phenothiazin-10-ylethyl)benzamide is sourced from PubChem (CID 155547046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).