N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide

C22H23N5O5S — CID 10195453

IUPACN-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1
InChIInChI=1S/C22H23N5O5S/c28-21(26-29)18-12-23-22(24-13-18)27-10-11-32-19(15-27)14-25-33(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16/h1-9,12-13,19,25,29H,10-11,14-15H2,(H,26,28)/t19-/m1/s1
InChIKeySTTGXKMIMXYHAZ-LJQANCHMSA-N
MW469.52 g/mol
LogP1.45
Rot. Bonds7

About N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 10195453) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
PubChem CID10195453
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC NameN-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1
InChIInChI=1S/C22H23N5O5S/c28-21(26-29)18-12-23-22(24-13-18)27-10-11-32-19(15-27)14-25-33(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16/h1-9,12-13,19,25,29H,10-11,14-15H2,(H,26,28)/t19-/m1/s1
InChIKeySTTGXKMIMXYHAZ-LJQANCHMSA-N
XLogP1.45
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide (CID 10195453) is N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.
What is the InChIKey of N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is STTGXKMIMXYHAZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O5S/c28-21(26-29)18-12-23-22(24-13-18)27-10-11-32-19(15-27)14-25-33(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16/h1-9,12-13,19,25,29H,10-11,14-15H2,(H,26,28)/t19-/m1/s1.
What are the key properties of N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 10195453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).