N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide

C19H20F3NO5S — CID 66577897

IUPACN-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
SMILESCS(=O)(=O)NC(=O)CCCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3NO5S/c1-29(25,26)23-18(24)7-3-4-14-8-10-16(11-9-14)27-13-15-5-2-6-17(12-15)28-19(20,21)22/h2,5-6,8-12H,3-4,7,13H2,1H3,(H,23,24)
InChIKeyXNLGABPNFFDLAU-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.56
Rot. Bonds9

About N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide

N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide (PubChem CID 66577897) has the molecular formula C19H20F3NO5S and a molecular weight of 431.43 g/mol. Its IUPAC name is N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
PubChem CID66577897
Molecular FormulaC19H20F3NO5S
Molecular Weight431.43 g/mol
Exact Mass431.10
IUPAC NameN-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
SMILESCS(=O)(=O)NC(=O)CCCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3NO5S/c1-29(25,26)23-18(24)7-3-4-14-8-10-16(11-9-14)27-13-15-5-2-6-17(12-15)28-19(20,21)22/h2,5-6,8-12H,3-4,7,13H2,1H3,(H,23,24)
InChIKeyXNLGABPNFFDLAU-UHFFFAOYSA-N
XLogP3.56
TPSA81.70 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 ≤ 53.56
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-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide
CID 51355858
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
4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663394
4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663418
N-Methylsulfonyl-6-(2-propargyloxyphenyl)hexanamide
CID 10087567
2-[2-(2-Fluorophenoxy)phenyl]-N-(methylsulfonyl)acetamide
CID 45269893
(2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide
CID 71451147
(2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide
CID 71461882
3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide
CID 122185433

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide?
The IUPAC name of N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide (CID 66577897) is N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide.
What is the SMILES notation for N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide?
The canonical SMILES for N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide is CS(=O)(=O)NC(=O)CCCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide?
The InChIKey is XNLGABPNFFDLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO5S/c1-29(25,26)23-18(24)7-3-4-14-8-10-16(11-9-14)27-13-15-5-2-6-17(12-15)28-19(20,21)22/h2,5-6,8-12H,3-4,7,13H2,1H3,(H,23,24).
What are the key properties of N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide?
N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide has a molecular weight of 431.43 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide is sourced from PubChem (CID 66577897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).