N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide

C19H22N2O4S — CID 110328145

IUPACN-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide
SMILESCc1cc(C)cc(N2CC(CNS(=O)(=O)Cc3ccccc3)OC2=O)c1
InChIInChI=1S/C19H22N2O4S/c1-14-8-15(2)10-17(9-14)21-12-18(25-19(21)22)11-20-26(23,24)13-16-6-4-3-5-7-16/h3-10,18,20H,11-13H2,1-2H3
InChIKeyCBYYPYAQXXUSRZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.75
Rot. Bonds6

About N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide

N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 110328145) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID110328145
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide
SMILESCc1cc(C)cc(N2CC(CNS(=O)(=O)Cc3ccccc3)OC2=O)c1
InChIInChI=1S/C19H22N2O4S/c1-14-8-15(2)10-17(9-14)21-12-18(25-19(21)22)11-20-26(23,24)13-16-6-4-3-5-7-16/h3-10,18,20H,11-13H2,1-2H3
InChIKeyCBYYPYAQXXUSRZ-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327845
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994
1-(2-methylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
CID 110294188
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110327915
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
CID 110311011
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110328142
1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
CID 110367052
1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327626
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110327938
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 110327870

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide (CID 110328145) is N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide is Cc1cc(C)cc(N2CC(CNS(=O)(=O)Cc3ccccc3)OC2=O)c1.
What is the InChIKey of N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is CBYYPYAQXXUSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-8-15(2)10-17(9-14)21-12-18(25-19(21)22)11-20-26(23,24)13-16-6-4-3-5-7-16/h3-10,18,20H,11-13H2,1-2H3.
What are the key properties of N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide?
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110328145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).