N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide

C19H20F3NO5S — CID 51355858

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide
SMILESCC(CCc1ccc(OCc2c(F)cc(F)cc2F)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20F3NO5S/c1-19(18(24)23-25,29(2,26)27)8-7-12-3-5-14(6-4-12)28-11-15-16(21)9-13(20)10-17(15)22/h3-6,9-10,25H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyJCVBFTMUKRCFQI-UHFFFAOYSA-N
MW431.43 g/mol
LogP2.92
Rot. Bonds8

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide (PubChem CID 51355858) has the molecular formula C19H20F3NO5S and a molecular weight of 431.43 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide
PubChem CID51355858
Molecular FormulaC19H20F3NO5S
Molecular Weight431.43 g/mol
Exact Mass431.10
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide
SMILESCC(CCc1ccc(OCc2c(F)cc(F)cc2F)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20F3NO5S/c1-19(18(24)23-25,29(2,26)27)8-7-12-3-5-14(6-4-12)28-11-15-16(21)9-13(20)10-17(15)22/h3-6,9-10,25H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyJCVBFTMUKRCFQI-UHFFFAOYSA-N
XLogP2.92
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide (CID 51355858) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide is CC(CCc1ccc(OCc2c(F)cc(F)cc2F)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide?
The InChIKey is JCVBFTMUKRCFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO5S/c1-19(18(24)23-25,29(2,26)27)8-7-12-3-5-14(6-4-12)28-11-15-16(21)9-13(20)10-17(15)22/h3-6,9-10,25H,7-8,11H2,1-2H3,(H,23,24).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide has a molecular weight of 431.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide is sourced from PubChem (CID 51355858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).