N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide

C19H21N3O5S — CID 56506321

IUPACN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide
SMILESO=C(NNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1O
InChIInChI=1S/C19H21N3O5S/c23-16-9-5-4-8-15(16)18(24)20-21-19(25)17(14-6-2-1-3-7-14)22-10-12-28(26,27)13-11-22/h1-9,17,23H,10-13H2,(H,20,24)(H,21,25)
InChIKeyAJPCLCVYHVOEBO-UHFFFAOYSA-N
MW403.46 g/mol
LogP0.62
Rot. Bonds4

About N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide

N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide (PubChem CID 56506321) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide
PubChem CID56506321
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide
SMILESO=C(NNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1O
InChIInChI=1S/C19H21N3O5S/c23-16-9-5-4-8-15(16)18(24)20-21-19(25)17(14-6-2-1-3-7-14)22-10-12-28(26,27)13-11-22/h1-9,17,23H,10-13H2,(H,20,24)(H,21,25)
InChIKeyAJPCLCVYHVOEBO-UHFFFAOYSA-N
XLogP0.62
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide (CID 56506321) is N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide is O=C(NNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1O.
What is the InChIKey of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide?
The InChIKey is AJPCLCVYHVOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-16-9-5-4-8-15(16)18(24)20-21-19(25)17(14-6-2-1-3-7-14)22-10-12-28(26,27)13-11-22/h1-9,17,23H,10-13H2,(H,20,24)(H,21,25).
What are the key properties of N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide?
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide has a molecular weight of 403.46 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 56506321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).