(2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide

C28H25F2N3O4S — CID 15985920

IUPAC(2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cccc(S(=O)(=O)c3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C28H25F2N3O4S/c1-18(31-2)27(34)32-25-14-15-26(20-6-8-21(29)9-7-20)33(28(25)35)17-19-4-3-5-24(16-19)38(36,37)23-12-10-22(30)11-13-23/h3-16,18,31H,17H2,1-2H3,(H,32,34)/t18-/m0/s1
InChIKeyFKOMSOIJGLVTLS-SFHVURJKSA-N
MW537.59 g/mol
LogP4.22
Rot. Bonds8

About (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide

(2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 15985920) has the molecular formula C28H25F2N3O4S and a molecular weight of 537.59 g/mol. Its IUPAC name is (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID15985920
Molecular FormulaC28H25F2N3O4S
Molecular Weight537.59 g/mol
Exact Mass537.15
IUPAC Name(2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cccc(S(=O)(=O)c3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C28H25F2N3O4S/c1-18(31-2)27(34)32-25-14-15-26(20-6-8-21(29)9-7-20)33(28(25)35)17-19-4-3-5-24(16-19)38(36,37)23-12-10-22(30)11-13-23/h3-16,18,31H,17H2,1-2H3,(H,32,34)/t18-/m0/s1
InChIKeyFKOMSOIJGLVTLS-SFHVURJKSA-N
XLogP4.22
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.59
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide (CID 15985920) is (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cccc(S(=O)(=O)c3ccc(F)cc3)c2)c1=O.
What is the InChIKey of (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is FKOMSOIJGLVTLS-SFHVURJKSA-N. The full InChI is InChI=1S/C28H25F2N3O4S/c1-18(31-2)27(34)32-25-14-15-26(20-6-8-21(29)9-7-20)33(28(25)35)17-19-4-3-5-24(16-19)38(36,37)23-12-10-22(30)11-13-23/h3-16,18,31H,17H2,1-2H3,(H,32,34)/t18-/m0/s1.
What are the key properties of (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
(2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 537.59 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(4-fluorophenyl)-1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 15985920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).