2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

C19H18F2N2O6S — CID 16921888

IUPAC2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCOc1cccc(N2CC(CNC(=O)c3ccccc3S(=O)(=O)C(F)F)OC2=O)c1
InChIInChI=1S/C19H18F2N2O6S/c1-28-13-6-4-5-12(9-13)23-11-14(29-19(23)25)10-22-17(24)15-7-2-3-8-16(15)30(26,27)18(20)21/h2-9,14,18H,10-11H2,1H3,(H,22,24)
InChIKeyHRWRZNWUMXTKEY-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.45
Rot. Bonds7

About 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 16921888) has the molecular formula C19H18F2N2O6S and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID16921888
Molecular FormulaC19H18F2N2O6S
Molecular Weight440.42 g/mol
Exact Mass440.09
IUPAC Name2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCOc1cccc(N2CC(CNC(=O)c3ccccc3S(=O)(=O)C(F)F)OC2=O)c1
InChIInChI=1S/C19H18F2N2O6S/c1-28-13-6-4-5-12(9-13)23-11-14(29-19(23)25)10-22-17(24)15-7-2-3-8-16(15)30(26,27)18(20)21/h2-9,14,18H,10-11H2,1H3,(H,22,24)
InChIKeyHRWRZNWUMXTKEY-UHFFFAOYSA-N
XLogP2.45
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327902
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
2-methoxy-N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110328391
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920424
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanesulfonamide
CID 16922720
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328338
3,5-dimethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327773
2-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327680

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 16921888) is 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is COc1cccc(N2CC(CNC(=O)c3ccccc3S(=O)(=O)C(F)F)OC2=O)c1.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is HRWRZNWUMXTKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O6S/c1-28-13-6-4-5-12(9-13)23-11-14(29-19(23)25)10-22-17(24)15-7-2-3-8-16(15)30(26,27)18(20)21/h2-9,14,18H,10-11H2,1H3,(H,22,24).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 440.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 16921888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).