N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

C15H22N2O4S — CID 110328314

IUPACN-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1ccc(N2CC(CNS(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)11-5-7-12(8-6-11)17-10-13(21-14(17)18)9-16-22(4,19)20/h5-8,13,16H,9-10H2,1-4H3
InChIKeySNQDGMUCNHXWNP-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.86
Rot. Bonds4

About N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 110328314) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
PubChem CID110328314
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1ccc(N2CC(CNS(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)11-5-7-12(8-6-11)17-10-13(21-14(17)18)9-16-22(4,19)20/h5-8,13,16H,9-10H2,1-4H3
InChIKeySNQDGMUCNHXWNP-UHFFFAOYSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110328320
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 40839212
5-[(dimethylsulfamoylamino)methyl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine
CID 16922442
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 110327870
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 126496005
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 16922517
N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 20616698

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 110328314) is N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is CC(C)(C)c1ccc(N2CC(CNS(C)(=O)=O)OC2=O)cc1.
What is the InChIKey of N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The InChIKey is SNQDGMUCNHXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(2,3)11-5-7-12(8-6-11)17-10-13(21-14(17)18)9-16-22(4,19)20/h5-8,13,16H,9-10H2,1-4H3.
What are the key properties of N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110328314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).