N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide

C24H26FN3O2S — CID 167693865

IUPACN-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide
SMILES[H]N=S(=O)(CCc1cccnc1C)c1ccc(-c2ccc(N(C)C(=O)CC)c(F)c2)cc1
InChIInChI=1S/C24H26FN3O2S/c1-4-24(29)28(3)23-12-9-20(16-22(23)25)19-7-10-21(11-8-19)31(26,30)15-13-18-6-5-14-27-17(18)2/h5-12,14,16,26H,4,13,15H2,1-3H3
InChIKeyFKDQHDSSEDNXNO-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.22
Rot. Bonds7

About N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide

N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167693865) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide
PubChem CID167693865
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide
SMILES[H]N=S(=O)(CCc1cccnc1C)c1ccc(-c2ccc(N(C)C(=O)CC)c(F)c2)cc1
InChIInChI=1S/C24H26FN3O2S/c1-4-24(29)28(3)23-12-9-20(16-22(23)25)19-7-10-21(11-8-19)31(26,30)15-13-18-6-5-14-27-17(18)2/h5-12,14,16,26H,4,13,15H2,1-3H3
InChIKeyFKDQHDSSEDNXNO-UHFFFAOYSA-N
XLogP5.22
TPSA74.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167656944
N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide
CID 167693862
N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167662284
N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167558203
N-[4-[4-[2-(2-amino-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2-chloro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2-methoxy-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[2-(6-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide
CID 167661719
3-(6-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one;N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(6-fluoro-3-pyridinyl)propan-1-one;5-[3-[4-[4-[methyl(propyl)amino]phenyl]phenyl]but-3-enyl]pyridin-2-amine
CID 167618681
N-[(2-amino-3-pyridinyl)methyl]-2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide;2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(2-methyl-3-pyridinyl)methyl]-3H-pyrrole-5-carboxamide
CID 167572129
N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370
N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167606300
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167688608
N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide
CID 167700140

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide (CID 167693865) is N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide is [H]N=S(=O)(CCc1cccnc1C)c1ccc(-c2ccc(N(C)C(=O)CC)c(F)c2)cc1.
What is the InChIKey of N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide?
The InChIKey is FKDQHDSSEDNXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-4-24(29)28(3)23-12-9-20(16-22(23)25)19-7-10-21(11-8-19)31(26,30)15-13-18-6-5-14-27-17(18)2/h5-12,14,16,26H,4,13,15H2,1-3H3.
What are the key properties of N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide?
N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 439.56 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167693865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).