N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide

C21H19N3O6S — CID 59071623

IUPACN-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)c1ccncc1
InChIInChI=1S/C21H19N3O6S/c25-20(15-10-12-22-13-11-15)23-19(21(26)24-27)14-31(28,29)18-8-6-17(7-9-18)30-16-4-2-1-3-5-16/h1-13,19,27H,14H2,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyCSOXBXQTKUQXJU-IBGZPJMESA-N
MW441.47 g/mol
LogP1.95
Rot. Bonds8

About N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide

N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 59071623) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide
PubChem CID59071623
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC NameN-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)c1ccncc1
InChIInChI=1S/C21H19N3O6S/c25-20(15-10-12-22-13-11-15)23-19(21(26)24-27)14-31(28,29)18-8-6-17(7-9-18)30-16-4-2-1-3-5-16/h1-13,19,27H,14H2,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyCSOXBXQTKUQXJU-IBGZPJMESA-N
XLogP1.95
TPSA134.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3-(4-benzylphenyl)sulfonyl-1-(hydroxyamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 142029516
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide
CID 59071627
N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
CID 12968522
(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide
CID 11741226
N-hydroxy-2-(4-phenoxyphenyl)sulfonylacetamide
CID 11616500
(2R)-N-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]-3-pyridin-3-ylpropanamide
CID 10216362
2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
CID 18406833
4-phenoxy-N-(4-phenylphenyl)sulfonylbenzamide
CID 53473228
N-[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 18381752
N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
CID 49415661
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866
2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
CID 21130554

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide (CID 59071623) is N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide is O=C(N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)c1ccncc1.
What is the InChIKey of N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is CSOXBXQTKUQXJU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19N3O6S/c25-20(15-10-12-22-13-11-15)23-19(21(26)24-27)14-31(28,29)18-8-6-17(7-9-18)30-16-4-2-1-3-5-16/h1-13,19,27H,14H2,(H,23,25)(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide?
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 59071623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).