(2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H19N3O4S — CID 90684322

IUPAC(2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2ccc(C#N)cn2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-18(17(22)21-23,26(2,24)25)10-9-13-3-6-15(7-4-13)16-8-5-14(11-19)12-20-16/h3-8,12,23H,9-10H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyQNCDDLNLRPYSKP-GOSISDBHSA-N
MW373.43 g/mol
LogP1.86
Rot. Bonds6

About (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684322) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684322
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2ccc(C#N)cn2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-18(17(22)21-23,26(2,24)25)10-9-13-3-6-15(7-4-13)16-8-5-14(11-19)12-20-16/h3-8,12,23H,9-10H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyQNCDDLNLRPYSKP-GOSISDBHSA-N
XLogP1.86
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
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)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684322) is (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCc1ccc(-c2ccc(C#N)cn2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is QNCDDLNLRPYSKP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-18(17(22)21-23,26(2,24)25)10-9-13-3-6-15(7-4-13)16-8-5-14(11-19)12-20-16/h3-8,12,23H,9-10H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 373.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(5-cyano-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).