N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide

C23H24FN3O2S — CID 167693862

IUPACN-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide
SMILES[H]N=S(=O)(CCc1ccc(F)nc1)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1
InChIInChI=1S/C23H24FN3O2S/c1-3-23(28)27(2)20-9-5-18(6-10-20)19-7-11-21(12-8-19)30(25,29)15-14-17-4-13-22(24)26-16-17/h4-13,16,25H,3,14-15H2,1-2H3
InChIKeyZKBVIQCBQKGKDX-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.91
Rot. Bonds7

About N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide

N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167693862) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide
PubChem CID167693862
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide
SMILES[H]N=S(=O)(CCc1ccc(F)nc1)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1
InChIInChI=1S/C23H24FN3O2S/c1-3-23(28)27(2)20-9-5-18(6-10-20)19-7-11-21(12-8-19)30(25,29)15-14-17-4-13-22(24)26-16-17/h4-13,16,25H,3,14-15H2,1-2H3
InChIKeyZKBVIQCBQKGKDX-UHFFFAOYSA-N
XLogP4.91
TPSA74.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide (CID 167693862) is N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide is [H]N=S(=O)(CCc1ccc(F)nc1)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide?
The InChIKey is ZKBVIQCBQKGKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-3-23(28)27(2)20-9-5-18(6-10-20)19-7-11-21(12-8-19)30(25,29)15-14-17-4-13-22(24)26-16-17/h4-13,16,25H,3,14-15H2,1-2H3.
What are the key properties of N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide?
N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 425.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167693862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).