N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide

C19H20N2O5S — CID 11848285

IUPACN-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2S(=O)(=O)c2ccccc21)NO
InChIInChI=1S/C19H20N2O5S/c22-18(20-24)12-2-1-7-13-21-15-9-4-6-11-17(15)27(25,26)16-10-5-3-8-14(16)19(21)23/h3-6,8-11,24H,1-2,7,12-13H2,(H,20,22)
InChIKeyRJAYGVNEJDTCPZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.55
Rot. Bonds6

About N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide

N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide (PubChem CID 11848285) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide
PubChem CID11848285
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2S(=O)(=O)c2ccccc21)NO
InChIInChI=1S/C19H20N2O5S/c22-18(20-24)12-2-1-7-13-21-15-9-4-6-11-17(15)27(25,26)16-10-5-3-8-14(16)19(21)23/h3-6,8-11,24H,1-2,7,12-13H2,(H,20,22)
InChIKeyRJAYGVNEJDTCPZ-UHFFFAOYSA-N
XLogP2.55
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dibenzothiazepinone
CID 374829
5-Propylbenzo[b][1,4]benzothiazepin-6-one
CID 453911
N-butyl-10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
CID 4668743
N-benzyl-2-methylsulfonyl-N-phenylbenzamide
CID 8892628
6-(3-chloro-6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)-N-hydroxyhexanamide
CID 11848286
N-hydroxy-6-(6-oxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide
CID 11849153
6-(3-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)-N-hydroxyhexanamide
CID 11849156
10-ethyl-N-(4-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
CID 16007816
10-ethyl-N~8~-(4-fluorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
CID 16007820
5-ethyl-6,11-dioxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 20861041
N-(5-ethyl-6,11-dioxobenzo[b][1,4]benzothiazepin-3-yl)-2-(4-fluorophenyl)acetamide
CID 57383398
N-benzyl-5-ethyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383399

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide (CID 11848285) is N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2S(=O)(=O)c2ccccc21)NO.
What is the InChIKey of N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide?
The InChIKey is RJAYGVNEJDTCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-18(20-24)12-2-1-7-13-21-15-9-4-6-11-17(15)27(25,26)16-10-5-3-8-14(16)19(21)23/h3-6,8-11,24H,1-2,7,12-13H2,(H,20,22).
What are the key properties of N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide?
N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide has a molecular weight of 388.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide is sourced from PubChem (CID 11848285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).