N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

C23H30N2O7S — CID 140597344

IUPACN-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccc(OC3CCC(O)CC3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C23H30N2O7S/c1-23(22(28)24-29,33(2,30)31)12-14-25-13-11-17(15-21(25)27)16-3-7-19(8-4-16)32-20-9-5-18(26)6-10-20/h3-4,7-8,11,13,15,18,20,26,29H,5-6,9-10,12,14H2,1-2H3,(H,24,28)
InChIKeySFFRWLALOXPDFW-UHFFFAOYSA-N
MW478.57 g/mol
LogP1.90
Rot. Bonds8

About N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 140597344) has the molecular formula C23H30N2O7S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID140597344
Molecular FormulaC23H30N2O7S
Molecular Weight478.57 g/mol
Exact Mass478.18
IUPAC NameN-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccc(OC3CCC(O)CC3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C23H30N2O7S/c1-23(22(28)24-29,33(2,30)31)12-14-25-13-11-17(15-21(25)27)16-3-7-19(8-4-16)32-20-9-5-18(26)6-10-20/h3-4,7-8,11,13,15,18,20,26,29H,5-6,9-10,12,14H2,1-2H3,(H,24,28)
InChIKeySFFRWLALOXPDFW-UHFFFAOYSA-N
XLogP1.90
TPSA134.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Related Compounds

4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880187
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
4-[4-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90115848
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
(2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 130207770
(2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90115817
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
(2R)-N-hydroxy-2-methyl-4-[4-[4-(1-methylimidazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116515
N-hydroxy-2-methyl-4-[4-[4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 140640860
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640885
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
(2R)-N-hydroxy-4-[4-[6-(hydroxymethyl)-3-pyridinyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116706

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 140597344) is N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is CC(CCn1ccc(-c2ccc(OC3CCC(O)CC3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is SFFRWLALOXPDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7S/c1-23(22(28)24-29,33(2,30)31)12-14-25-13-11-17(15-21(25)27)16-3-7-19(8-4-16)32-20-9-5-18(26)6-10-20/h3-4,7-8,11,13,15,18,20,26,29H,5-6,9-10,12,14H2,1-2H3,(H,24,28).
What are the key properties of N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 478.57 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 140597344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).