(2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C23H27F4N3O4S — CID 167211493

About (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 167211493) has the molecular formula C23H27F4N3O4S and a molecular weight of 517.55 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
• PubChem CID: 167211493
• Molecular Formula: C23H27F4N3O4S
• Molecular Weight: 517.55 g/mol
• Exact Mass: 517.17
• IUPAC Name: (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
• SMILES: CN=[S@@](C)(=O)c1cc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(C)c2OC)ccn1
• InChI: InChI=1S/C23H27F4N3O4S/c1-12-16(24)8-7-15(19(12)33-5)18-13(2)22(3,23(25,26)27)34-20(18)21(31)30-14-9-10-29-17(11-14)35(6,32)28-4/h7-11,13,18,20H,1-6H3,(H,29,30,31)/t13-,18-,20+,22+,35-/m0/s1
• InChIKey: QQQJTQRTFYPIAE-HZFSNUMUSA-N
• XLogP: 4.70
• TPSA: 89.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.55
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The IUPAC name of (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 167211493) is (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

What is the SMILES notation for (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The canonical SMILES for (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is CN=[S@@](C)(=O)c1cc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(C)c2OC)ccn1.

What is the InChIKey of (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The InChIKey is QQQJTQRTFYPIAE-HZFSNUMUSA-N. The full InChI is InChI=1S/C23H27F4N3O4S/c1-12-16(24)8-7-15(19(12)33-5)18-13(2)22(3,23(25,26)27)34-20(18)21(31)30-14-9-10-29-17(11-14)35(6,32)28-4/h7-11,13,18,20H,1-6H3,(H,29,30,31)/t13-,18-,20+,22+,35-/m0/s1.

What are the key properties of (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

(2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 517.55 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R)-N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 167211493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).