2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide

C19H20F3NO5S — CID 66577954

IUPAC2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
SMILESCS(=O)(=O)C(CCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C19H20F3NO5S/c1-29(25,26)17(18(23)24)11-6-13-2-7-15(8-3-13)27-12-14-4-9-16(10-5-14)28-19(20,21)22/h2-5,7-10,17H,6,11-12H2,1H3,(H2,23,24)
InChIKeyDIAJOKZOPPZCLM-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.00
Rot. Bonds9

About 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide

2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide (PubChem CID 66577954) has the molecular formula C19H20F3NO5S and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide.

Molecular Properties

Compound Name2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
PubChem CID66577954
Molecular FormulaC19H20F3NO5S
Molecular Weight431.43 g/mol
Exact Mass431.10
IUPAC Name2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
SMILESCS(=O)(=O)C(CCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C19H20F3NO5S/c1-29(25,26)17(18(23)24)11-6-13-2-7-15(8-3-13)27-12-14-4-9-16(10-5-14)28-19(20,21)22/h2-5,7-10,17H,6,11-12H2,1H3,(H2,23,24)
InChIKeyDIAJOKZOPPZCLM-UHFFFAOYSA-N
XLogP3.00
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide
CID 56951004
N-Hydroxy-2-(4-methoxy-phenylmethanesulfonyl)-2-methyl-3-phenyl-propionamide
CID 10992109
N-Hydroxy-3-(4-methoxy-benzenesulfonyl)-3-(4-phenoxy-phenyl)-propionamide
CID 44289521
3-(4-Benzyloxy-phenyl)-N-hydroxy-3-(4-methoxy-benzenesulfonyl)-propionamide
CID 44289867
4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 56951128
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide
CID 51355858
N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 88851046
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 90684282
4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663366
4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663369
4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663374
4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663388

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide?
The IUPAC name of 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide (CID 66577954) is 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide.
What is the SMILES notation for 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide?
The canonical SMILES for 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide is CS(=O)(=O)C(CCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1)C(N)=O.
What is the InChIKey of 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide?
The InChIKey is DIAJOKZOPPZCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO5S/c1-29(25,26)17(18(23)24)11-6-13-2-7-15(8-3-13)27-12-14-4-9-16(10-5-14)28-19(20,21)22/h2-5,7-10,17H,6,11-12H2,1H3,(H2,23,24).
What are the key properties of 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide?
2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide has a molecular weight of 431.43 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide is sourced from PubChem (CID 66577954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).