(2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide

C24H30N2O6S — CID 90684315

IUPAC(2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C24H30N2O6S/c1-24(23(29)25-30,33(2,31)32)14-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)22(28)26-15-12-21(27)13-16-26/h3-10,21,27,30H,11-16H2,1-2H3,(H,25,29)/t24-/m1/s1
InChIKeyWLUCEODBRQWEAY-XMMPIXPASA-N
MW474.58 g/mol
LogP2.19
Rot. Bonds7

About (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide

(2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684315) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684315
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name(2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C24H30N2O6S/c1-24(23(29)25-30,33(2,31)32)14-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)22(28)26-15-12-21(27)13-16-26/h3-10,21,27,30H,11-16H2,1-2H3,(H,25,29)/t24-/m1/s1
InChIKeyWLUCEODBRQWEAY-XMMPIXPASA-N
XLogP2.19
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.19
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-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (CID 90684315) is (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCc1ccc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is WLUCEODBRQWEAY-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-24(23(29)25-30,33(2,31)32)14-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)22(28)26-15-12-21(27)13-16-26/h3-10,21,27,30H,11-16H2,1-2H3,(H,25,29)/t24-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 474.58 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).