2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C24H22F5N3O4S — CID 71698889

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H22F5N3O4S/c1-14(16-6-8-20(19(26)11-16)32-37(2,34)35)22(33)30-12-17-7-9-21(24(27,28)29)31-23(17)36-13-15-4-3-5-18(25)10-15/h3-11,14,32H,12-13H2,1-2H3,(H,30,33)
InChIKeyOBXGYXWGYWCELN-UHFFFAOYSA-N
MW543.51 g/mol
LogP4.75
Rot. Bonds9

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 71698889) has the molecular formula C24H22F5N3O4S and a molecular weight of 543.51 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID71698889
Molecular FormulaC24H22F5N3O4S
Molecular Weight543.51 g/mol
Exact Mass543.13
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H22F5N3O4S/c1-14(16-6-8-20(19(26)11-16)32-37(2,34)35)22(33)30-12-17-7-9-21(24(27,28)29)31-23(17)36-13-15-4-3-5-18(25)10-15/h3-11,14,32H,12-13H2,1-2H3,(H,30,33)
InChIKeyOBXGYXWGYWCELN-UHFFFAOYSA-N
XLogP4.75
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.51
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 71698889) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is OBXGYXWGYWCELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F5N3O4S/c1-14(16-6-8-20(19(26)11-16)32-37(2,34)35)22(33)30-12-17-7-9-21(24(27,28)29)31-23(17)36-13-15-4-3-5-18(25)10-15/h3-11,14,32H,12-13H2,1-2H3,(H,30,33).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 543.51 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 71698889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).