N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide

C18H22N2O5S — CID 51356116

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
SMILESCC(CCc1ccc(OCc2ccncc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H22N2O5S/c1-18(17(21)20-22,26(2,23)24)10-7-14-3-5-16(6-4-14)25-13-15-8-11-19-12-9-15/h3-6,8-9,11-12,22H,7,10,13H2,1-2H3,(H,20,21)
InChIKeyBXPNUANXXWDSMJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.90
Rot. Bonds8

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide (PubChem CID 51356116) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
PubChem CID51356116
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
SMILESCC(CCc1ccc(OCc2ccncc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H22N2O5S/c1-18(17(21)20-22,26(2,23)24)10-7-14-3-5-16(6-4-14)25-13-15-8-11-19-12-9-15/h3-6,8-9,11-12,22H,7,10,13H2,1-2H3,(H,20,21)
InChIKeyBXPNUANXXWDSMJ-UHFFFAOYSA-N
XLogP1.90
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.90
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-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide (CID 51356116) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide is CC(CCc1ccc(OCc2ccncc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The InChIKey is BXPNUANXXWDSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-18(17(21)20-22,26(2,23)24)10-7-14-3-5-16(6-4-14)25-13-15-8-11-19-12-9-15/h3-6,8-9,11-12,22H,7,10,13H2,1-2H3,(H,20,21).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide has a molecular weight of 378.45 g/mol, XLogP of 1.90, 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-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 51356116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).