(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C22H24F5N3O4S — CID 166160880

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCN=[S@](C)(=O)c1ccc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)cn1
InChIInChI=1S/C22H24F5N3O4S/c1-11-16(13-7-8-14(23)17(24)18(13)33-4)19(34-21(11,2)22(25,26)27)20(31)30-12-6-9-15(29-10-12)35(5,32)28-3/h6-11,16,19H,1-5H3,(H,30,31)/t11-,16-,19+,21+,35+/m0/s1
InChIKeyYFZFUVZBNSMXIS-OFTNGMRJSA-N
MW521.51 g/mol
LogP4.53
Rot. Bonds5

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160880) has the molecular formula C22H24F5N3O4S and a molecular weight of 521.51 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160880
Molecular FormulaC22H24F5N3O4S
Molecular Weight521.51 g/mol
Exact Mass521.14
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCN=[S@](C)(=O)c1ccc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)cn1
InChIInChI=1S/C22H24F5N3O4S/c1-11-16(13-7-8-14(23)17(24)18(13)33-4)19(34-21(11,2)22(25,26)27)20(31)30-12-6-9-15(29-10-12)35(5,32)28-3/h6-11,16,19H,1-5H3,(H,30,31)/t11-,16-,19+,21+,35+/m0/s1
InChIKeyYFZFUVZBNSMXIS-OFTNGMRJSA-N
XLogP4.53
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160880) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is CN=[S@](C)(=O)c1ccc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)cn1.
What is the InChIKey of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is YFZFUVZBNSMXIS-OFTNGMRJSA-N. The full InChI is InChI=1S/C22H24F5N3O4S/c1-11-16(13-7-8-14(23)17(24)18(13)33-4)19(34-21(11,2)22(25,26)27)20(31)30-12-6-9-15(29-10-12)35(5,32)28-3/h6-11,16,19H,1-5H3,(H,30,31)/t11-,16-,19+,21+,35+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 521.51 g/mol, XLogP of 4.53, 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)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).