N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C17H16F4N2O4S — CID 69382082

IUPACN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C17H16F4N2O4S/c1-28(25,26)23-15-7-2-11(8-14(15)18)9-22-16(24)10-27-13-5-3-12(4-6-13)17(19,20)21/h2-8,23H,9-10H2,1H3,(H,22,24)
InChIKeyLXBZRPFAWOUQEZ-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.91
Rot. Bonds7

About N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 69382082) has the molecular formula C17H16F4N2O4S and a molecular weight of 420.38 g/mol. Its IUPAC name is N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID69382082
Molecular FormulaC17H16F4N2O4S
Molecular Weight420.38 g/mol
Exact Mass420.08
IUPAC NameN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C17H16F4N2O4S/c1-28(25,26)23-15-7-2-11(8-14(15)18)9-22-16(24)10-27-13-5-3-12(4-6-13)17(19,20)21/h2-8,23H,9-10H2,1H3,(H,22,24)
InChIKeyLXBZRPFAWOUQEZ-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 69382082) is N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is LXBZRPFAWOUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O4S/c1-28(25,26)23-15-7-2-11(8-14(15)18)9-22-16(24)10-27-13-5-3-12(4-6-13)17(19,20)21/h2-8,23H,9-10H2,1H3,(H,22,24).
What are the key properties of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 420.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 69382082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).