4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide

C19H20N2O5S — CID 94659890

IUPAC4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2cccc(N3CCOC3=O)c2)cc1S(C)(=O)=O
InChIInChI=1S/C19H20N2O5S/c1-13-6-7-15(11-17(13)27(2,24)25)18(22)20-12-14-4-3-5-16(10-14)21-8-9-26-19(21)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyQNPNERIBNNLKLL-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.29
Rot. Bonds5

About 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide

4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide (PubChem CID 94659890) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
PubChem CID94659890
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2cccc(N3CCOC3=O)c2)cc1S(C)(=O)=O
InChIInChI=1S/C19H20N2O5S/c1-13-6-7-15(11-17(13)27(2,24)25)18(22)20-12-14-4-3-5-16(10-14)21-8-9-26-19(21)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyQNPNERIBNNLKLL-UHFFFAOYSA-N
XLogP2.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
CID 55814674
4-cyclopentyloxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55934364
1-(2-methylpropyl)-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 60562162
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55814454
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 86836373
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55970144
4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 47047969
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55814453
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453
5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 167833868
3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide
CID 55688065

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide (CID 94659890) is 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2cccc(N3CCOC3=O)c2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?
The InChIKey is QNPNERIBNNLKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13-6-7-15(11-17(13)27(2,24)25)18(22)20-12-14-4-3-5-16(10-14)21-8-9-26-19(21)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22).
What are the key properties of 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?
4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide has a molecular weight of 388.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 94659890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).