N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide

C24H24N2O8S — CID 59071627

About N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide

N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide (PubChem CID 59071627) has the molecular formula C24H24N2O8S and a molecular weight of 500.53 g/mol. Its IUPAC name is N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide
• PubChem CID: 59071627
• Molecular Formula: C24H24N2O8S
• Molecular Weight: 500.53 g/mol
• Exact Mass: 500.13
• IUPAC Name: N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide
• SMILES: COc1cccc(OC)c1C(=O)N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
• InChI: InChI=1S/C24H24N2O8S/c1-32-20-9-6-10-21(33-2)22(20)24(28)25-19(23(27)26-29)15-35(30,31)18-13-11-17(12-14-18)34-16-7-4-3-5-8-16/h3-14,19,29H,15H2,1-2H3,(H,25,28)(H,26,27)/t19-/m0/s1
• InChIKey: MLONDWWDPWNWGR-IBGZPJMESA-N
• XLogP: 2.57
• TPSA: 140.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.53
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide?

The IUPAC name of N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide (CID 59071627) is N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide.

What is the SMILES notation for N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide?

The canonical SMILES for N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO.

What is the InChIKey of N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide?

The InChIKey is MLONDWWDPWNWGR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N2O8S/c1-32-20-9-6-10-21(33-2)22(20)24(28)25-19(23(27)26-29)15-35(30,31)18-13-11-17(12-14-18)34-16-7-4-3-5-8-16/h3-14,19,29H,15H2,1-2H3,(H,25,28)(H,26,27)/t19-/m0/s1.

What are the key properties of N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide?

N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide has a molecular weight of 500.53 g/mol, XLogP of 2.57, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 59071627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).