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

C24H24F4N4O3S — CID 58873315

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1N(C)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H24F4N4O3S/c1-15(16-9-11-20(19(25)13-16)31-36(3,34)35)23(33)29-14-17-10-12-21(24(26,27)28)30-22(17)32(2)18-7-5-4-6-8-18/h4-13,15,31H,14H2,1-3H3,(H,29,33)
InChIKeyXVTZVRVVPOXNSG-UHFFFAOYSA-N
MW524.54 g/mol
LogP4.80
Rot. Bonds8

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 58873315) has the molecular formula C24H24F4N4O3S and a molecular weight of 524.54 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID58873315
Molecular FormulaC24H24F4N4O3S
Molecular Weight524.54 g/mol
Exact Mass524.15
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1N(C)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H24F4N4O3S/c1-15(16-9-11-20(19(25)13-16)31-36(3,34)35)23(33)29-14-17-10-12-21(24(26,27)28)30-22(17)32(2)18-7-5-4-6-8-18/h4-13,15,31H,14H2,1-3H3,(H,29,33)
InChIKeyXVTZVRVVPOXNSG-UHFFFAOYSA-N
XLogP4.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.54
LogP ≤ 54.80
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-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 58873315) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(C)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is XVTZVRVVPOXNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O3S/c1-15(16-9-11-20(19(25)13-16)31-36(3,34)35)23(33)29-14-17-10-12-21(24(26,27)28)30-22(17)32(2)18-7-5-4-6-8-18/h4-13,15,31H,14H2,1-3H3,(H,29,33).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 524.54 g/mol, XLogP of 4.80, 8 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-(N-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 58873315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).