(2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C24H28N6O7S — CID 118501227

About (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 118501227) has the molecular formula C24H28N6O7S and a molecular weight of 544.59 g/mol. Its IUPAC name is (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
• PubChem CID: 118501227
• Molecular Formula: C24H28N6O7S
• Molecular Weight: 544.59 g/mol
• Exact Mass: 544.17
• IUPAC Name: (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
• SMILES: NN=C(N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)C2=O)cc1
• InChI: InChI=1S/C24H28N6O7S/c25-21(28-26)15-1-5-17(6-2-15)27-22(32)19(31)20-24(34)30(9-12-37-20)18-7-3-16(4-8-18)23(33)29-10-13-38(35,36)14-11-29/h1-8,19-20,31H,9-14,26H2,(H2,25,28)(H,27,32)/t19-,20-/m1/s1
• InChIKey: TVODNUDLYDLBAJ-WOJBJXKFSA-N
• XLogP: -1.13
• TPSA: 197.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.59
LogP ≤ 5	-1.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

The IUPAC name of (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 118501227) is (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

What is the SMILES notation for (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

The canonical SMILES for (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is NN=C(N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)C2=O)cc1.

What is the InChIKey of (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

The InChIKey is TVODNUDLYDLBAJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H28N6O7S/c25-21(28-26)15-1-5-17(6-2-15)27-22(32)19(31)20-24(34)30(9-12-37-20)18-7-3-16(4-8-18)23(33)29-10-13-38(35,36)14-11-29/h1-8,19-20,31H,9-14,26H2,(H2,25,28)(H,27,32)/t19-,20-/m1/s1.

What are the key properties of (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

(2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 544.59 g/mol, XLogP of -1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 118501227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).