N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide

C19H24N2O5S — CID 91663396

IUPACN-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
SMILESCc1ccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H24N2O5S/c1-14-4-5-16(12-20-14)13-26-17-8-6-15(7-9-17)10-11-19(2,18(22)21-23)27(3,24)25/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyJCZGIARDDNVQDS-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.21
Rot. Bonds8

About N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide (PubChem CID 91663396) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
PubChem CID91663396
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
SMILESCc1ccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H24N2O5S/c1-14-4-5-16(12-20-14)13-26-17-8-6-15(7-9-17)10-11-19(2,18(22)21-23)27(3,24)25/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyJCZGIARDDNVQDS-UHFFFAOYSA-N
XLogP2.21
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.21
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 N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide (CID 91663396) is N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide is Cc1ccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cn1.
What is the InChIKey of N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The InChIKey is JCZGIARDDNVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-4-5-16(12-20-14)13-26-17-8-6-15(7-9-17)10-11-19(2,18(22)21-23)27(3,24)25/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide has a molecular weight of 392.48 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).