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

C19H22N2O4S — CID 110327845

IUPAC1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCC2CN(c3cccc(C)c3)C(=O)O2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-5-3-7-16(9-14)13-26(23,24)20-11-18-12-21(19(22)25-18)17-8-4-6-15(2)10-17/h3-10,18,20H,11-13H2,1-2H3
InChIKeyCKWILSHTFCZRGH-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.75
Rot. Bonds6

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

1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 110327845) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
PubChem CID110327845
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCC2CN(c3cccc(C)c3)C(=O)O2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-5-3-7-16(9-14)13-26(23,24)20-11-18-12-21(19(22)25-18)17-8-4-6-15(2)10-17/h3-10,18,20H,11-13H2,1-2H3
InChIKeyCKWILSHTFCZRGH-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

N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide
CID 110328145
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110327915
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
4-ethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 110327854
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanesulfonamide
CID 16922720
1-(2-methylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
CID 110294188
5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 175360935
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40839197
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
CID 110311011

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 110327845) is 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)NCC2CN(c3cccc(C)c3)C(=O)O2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The InChIKey is CKWILSHTFCZRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-5-3-7-16(9-14)13-26(23,24)20-11-18-12-21(19(22)25-18)17-8-4-6-15(2)10-17/h3-10,18,20H,11-13H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide 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 1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110327845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).