3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide

C20H20F4N2O3S — CID 172755892

IUPAC3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1cc(F)ccc1C1CC(C)(C(F)(F)F)OC1C(=O)Nc1ccnc(SC)c1
InChIInChI=1S/C20H20F4N2O3S/c1-19(20(22,23)24)10-14(13-5-4-11(21)8-15(13)28-2)17(29-19)18(27)26-12-6-7-25-16(9-12)30-3/h4-9,14,17H,10H2,1-3H3,(H,25,26,27)
InChIKeyLACXLKQLKKWESI-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.78
Rot. Bonds5

About 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide

3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 172755892) has the molecular formula C20H20F4N2O3S and a molecular weight of 444.45 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID172755892
Molecular FormulaC20H20F4N2O3S
Molecular Weight444.45 g/mol
Exact Mass444.11
IUPAC Name3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1cc(F)ccc1C1CC(C)(C(F)(F)F)OC1C(=O)Nc1ccnc(SC)c1
InChIInChI=1S/C20H20F4N2O3S/c1-19(20(22,23)24)10-14(13-5-4-11(21)8-15(13)28-2)17(29-19)18(27)26-12-6-7-25-16(9-12)30-3/h4-9,14,17H,10H2,1-3H3,(H,25,26,27)
InChIKeyLACXLKQLKKWESI-UHFFFAOYSA-N
XLogP4.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,5R)-3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160372
4-[[(2S,3S,5R)-3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 156535717
4-[[(2S,3R)-3-(3-chloro-4-fluoro-2-methoxyphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 156545946
(2S,3R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S,2S)-1,2-dihydroxypropyl]-4-pyridinyl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212315
(2S,3R,5S)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211891
4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046918
(2S,3R,5R)-N-(2-acetyl-4-pyridinyl)-5-(1,1-difluoroethyl)-3-(3,4-difluoro-2-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 170407893
(2S,3R,5S)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-3-(2-ethoxy-3,4-difluorophenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211894
4-[[(2S,3R,5R)-3-(3,4-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-5-methyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 166159688
4-[[(1R,3R,4S,5R)-4-(4-fluoro-2-hydroxyphenyl)-5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.1.0]hexane-3-carbonyl]amino]pyridine-2-carboxamide
CID 156545974
4-[[(2R,3S,4R,5R)-3-(4-fluoro-2-hydroxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169047186
4-[[(2R,3S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-6-(prop-2-enoylamino)pyridine-2-carboxamide
CID 176860431

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 172755892) is 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide is COc1cc(F)ccc1C1CC(C)(C(F)(F)F)OC1C(=O)Nc1ccnc(SC)c1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is LACXLKQLKKWESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O3S/c1-19(20(22,23)24)10-14(13-5-4-11(21)8-15(13)28-2)17(29-19)18(27)26-12-6-7-25-16(9-12)30-3/h4-9,14,17H,10H2,1-3H3,(H,25,26,27).
What are the key properties of 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide?
3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenyl)-5-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 172755892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).