(2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide

C24H24N2O5S — CID 20683088

IUPAC(2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide
SMILESO=C(NO)[C@]1(S(=O)(=O)c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)CCCCN1
InChIInChI=1S/C24H24N2O5S/c27-23(26-28)24(16-4-5-17-25-24)32(29,30)22-14-12-21(13-15-22)31-20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-15,25,28H,4-5,16-17H2,(H,26,27)/t24-/m1/s1
InChIKeySDCPBDOMTBRRBS-XMMPIXPASA-N
MW452.53 g/mol
LogP3.89
Rot. Bonds6

About (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide

(2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide (PubChem CID 20683088) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide
PubChem CID20683088
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name(2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide
SMILESO=C(NO)[C@]1(S(=O)(=O)c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)CCCCN1
InChIInChI=1S/C24H24N2O5S/c27-23(26-28)24(16-4-5-17-25-24)32(29,30)22-14-12-21(13-15-22)31-20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-15,25,28H,4-5,16-17H2,(H,26,27)/t24-/m1/s1
InChIKeySDCPBDOMTBRRBS-XMMPIXPASA-N
XLogP3.89
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.89
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide (CID 20683088) is (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide is O=C(NO)[C@]1(S(=O)(=O)c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)CCCCN1.
What is the InChIKey of (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide?
The InChIKey is SDCPBDOMTBRRBS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N2O5S/c27-23(26-28)24(16-4-5-17-25-24)32(29,30)22-14-12-21(13-15-22)31-20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-15,25,28H,4-5,16-17H2,(H,26,27)/t24-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide?
(2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 20683088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).