(2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide

C20H20F4N2O5S — CID 166160372

IUPAC(2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1cc(F)ccc1[C@@H]1C[C@](C)(C(F)(F)F)O[C@H]1C(=O)Nc1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C20H20F4N2O5S/c1-19(20(22,23)24)10-14(13-5-4-11(21)8-15(13)30-2)17(31-19)18(27)26-12-6-7-25-16(9-12)32(3,28)29/h4-9,14,17H,10H2,1-3H3,(H,25,26,27)/t14-,17+,19+/m0/s1
InChIKeyGWZVOFPAVVHUFI-POZUXBRTSA-N
MW476.45 g/mol
LogP3.46
Rot. Bonds5

About (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160372) has the molecular formula C20H20F4N2O5S and a molecular weight of 476.45 g/mol. Its IUPAC name is (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160372
Molecular FormulaC20H20F4N2O5S
Molecular Weight476.45 g/mol
Exact Mass476.10
IUPAC Name(2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1cc(F)ccc1[C@@H]1C[C@](C)(C(F)(F)F)O[C@H]1C(=O)Nc1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C20H20F4N2O5S/c1-19(20(22,23)24)10-14(13-5-4-11(21)8-15(13)30-2)17(31-19)18(27)26-12-6-7-25-16(9-12)32(3,28)29/h4-9,14,17H,10H2,1-3H3,(H,25,26,27)/t14-,17+,19+/m0/s1
InChIKeyGWZVOFPAVVHUFI-POZUXBRTSA-N
XLogP3.46
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160372) is (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide is COc1cc(F)ccc1[C@@H]1C[C@](C)(C(F)(F)F)O[C@H]1C(=O)Nc1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is GWZVOFPAVVHUFI-POZUXBRTSA-N. The full InChI is InChI=1S/C20H20F4N2O5S/c1-19(20(22,23)24)10-14(13-5-4-11(21)8-15(13)30-2)17(31-19)18(27)26-12-6-7-25-16(9-12)32(3,28)29/h4-9,14,17H,10H2,1-3H3,(H,25,26,27)/t14-,17+,19+/m0/s1.
What are the key properties of (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 476.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).