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

C24H22F5N3O3S — CID 67440919

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)ccc1F
InChIInChI=1S/C24H22F5N3O3S/c1-13-10-16(4-7-18(13)25)22-17(6-9-21(31-22)24(27,28)29)12-30-23(33)14(2)15-5-8-20(19(26)11-15)32-36(3,34)35/h4-11,14,32H,12H2,1-3H3,(H,30,33)
InChIKeyOUWDXFYSGLSYMW-UHFFFAOYSA-N
MW527.52 g/mol
LogP5.15
Rot. Bonds7

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 67440919) has the molecular formula C24H22F5N3O3S and a molecular weight of 527.52 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID67440919
Molecular FormulaC24H22F5N3O3S
Molecular Weight527.52 g/mol
Exact Mass527.13
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)ccc1F
InChIInChI=1S/C24H22F5N3O3S/c1-13-10-16(4-7-18(13)25)22-17(6-9-21(31-22)24(27,28)29)12-30-23(33)14(2)15-5-8-20(19(26)11-15)32-36(3,34)35/h4-11,14,32H,12H2,1-3H3,(H,30,33)
InChIKeyOUWDXFYSGLSYMW-UHFFFAOYSA-N
XLogP5.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.52
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 67440919) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is Cc1cc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)ccc1F.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is OUWDXFYSGLSYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F5N3O3S/c1-13-10-16(4-7-18(13)25)22-17(6-9-21(31-22)24(27,28)29)12-30-23(33)14(2)15-5-8-20(19(26)11-15)32-36(3,34)35/h4-11,14,32H,12H2,1-3H3,(H,30,33).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 527.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 67440919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).