(2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide

C25H25N3O6S — CID 152761174

IUPAC(2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)[C@@H](C(=O)NO)C1)c1ccccc1
InChIInChI=1S/C25H25N3O6S/c29-21-10-6-17(7-11-21)18-8-12-22(13-9-18)35(33,34)28-15-14-20(16-23(28)25(31)27-32)26-24(30)19-4-2-1-3-5-19/h1-13,20,23,29,32H,14-16H2,(H,26,30)(H,27,31)/t20-,23-/m1/s1
InChIKeyIYTAYSGCRMVPHB-NFBKMPQASA-N
MW495.56 g/mol
LogP2.52
Rot. Bonds6

About (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide

(2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide (PubChem CID 152761174) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide
PubChem CID152761174
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC Name(2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)[C@@H](C(=O)NO)C1)c1ccccc1
InChIInChI=1S/C25H25N3O6S/c29-21-10-6-17(7-11-21)18-8-12-22(13-9-18)35(33,34)28-15-14-20(16-23(28)25(31)27-32)26-24(30)19-4-2-1-3-5-19/h1-13,20,23,29,32H,14-16H2,(H,26,30)(H,27,31)/t20-,23-/m1/s1
InChIKeyIYTAYSGCRMVPHB-NFBKMPQASA-N
XLogP2.52
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

(2R,4R)-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-4-(4-methylpentanoylamino)piperidine-2-carboxylic acid
CID 152761136
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448
(2R,4R)-1-[3-(4-hydroxyphenyl)phenyl]sulfonyl-4-(4-methylpentanoylamino)piperidine-2-carboxylic acid
CID 152761129
(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 57384091
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
CID 11004130
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 141017724
4-benzoyl-1-(4-hydroxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid
CID 22644797
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
methyl 3-[[4-[4-hydroxy-2-(hydroxycarbamoyl)piperidin-1-yl]sulfonylphenoxy]methyl]benzoate
CID 87888231

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide (CID 152761174) is (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide is O=C(N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)[C@@H](C(=O)NO)C1)c1ccccc1.
What is the InChIKey of (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide?
The InChIKey is IYTAYSGCRMVPHB-NFBKMPQASA-N. The full InChI is InChI=1S/C25H25N3O6S/c29-21-10-6-17(7-11-21)18-8-12-22(13-9-18)35(33,34)28-15-14-20(16-23(28)25(31)27-32)26-24(30)19-4-2-1-3-5-19/h1-13,20,23,29,32H,14-16H2,(H,26,30)(H,27,31)/t20-,23-/m1/s1.
What are the key properties of (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide?
(2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 152761174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).