1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide

C19H19F3N2O5S — CID 50943847

IUPAC1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide
SMILESCOc1ccccc1C1CCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)O1
InChIInChI=1S/C19H19F3N2O5S/c1-28-16-9-5-3-7-14(16)17-10-11-24(18(25)29-17)12-13-6-2-4-8-15(13)23-30(26,27)19(20,21)22/h2-9,17,23H,10-12H2,1H3
InChIKeyUDRVIPXYSJYZER-UHFFFAOYSA-N
MW444.43 g/mol
LogP4.04
Rot. Bonds6

About 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide (PubChem CID 50943847) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide
PubChem CID50943847
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide
SMILESCOc1ccccc1C1CCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)O1
InChIInChI=1S/C19H19F3N2O5S/c1-28-16-9-5-3-7-14(16)17-10-11-24(18(25)29-17)12-13-6-2-4-8-15(13)23-30(26,27)19(20,21)22/h2-9,17,23H,10-12H2,1H3
InChIKeyUDRVIPXYSJYZER-UHFFFAOYSA-N
XLogP4.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide
CID 141203164
3-cyclopropyl-5-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82082707
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
1,1,1-trifluoro-N-[2-[[(10E)-9-oxo-10-prop-2-enoxyimino-8-azaspiro[4.5]decan-8-yl]methyl]phenyl]methanesulfonamide
CID 145215612
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444
1-[(2-fluoro-3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337659
5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060056
N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide
CID 42869159
[5-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061548
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide (CID 50943847) is 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide is COc1ccccc1C1CCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)O1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is UDRVIPXYSJYZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c1-28-16-9-5-3-7-14(16)17-10-11-24(18(25)29-17)12-13-6-2-4-8-15(13)23-30(26,27)19(20,21)22/h2-9,17,23H,10-12H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 444.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 50943847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).