N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide

C20H24N2O4S — CID 110367994

IUPACN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
SMILESCc1cc(C)cc(N2CC(CNS(=O)(=O)Cc3ccccc3)OCC2=O)c1
InChIInChI=1S/C20H24N2O4S/c1-15-8-16(2)10-18(9-15)22-12-19(26-13-20(22)23)11-21-27(24,25)14-17-6-4-3-5-7-17/h3-10,19,21H,11-14H2,1-2H3
InChIKeyIQJZOTVMCHFKKB-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.15
Rot. Bonds6

About N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide

N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 110367994) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID110367994
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
SMILESCc1cc(C)cc(N2CC(CNS(=O)(=O)Cc3ccccc3)OCC2=O)c1
InChIInChI=1S/C20H24N2O4S/c1-15-8-16(2)10-18(9-15)22-12-19(26-13-20(22)23)11-21-27(24,25)14-17-6-4-3-5-7-17/h3-10,19,21H,11-14H2,1-2H3
InChIKeyIQJZOTVMCHFKKB-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
CID 110367052
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide
CID 110328145
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
CID 110367951
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
CID 110367930
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzenesulfonamide
CID 110367909
2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367262
1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327845
3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110367066
1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
CID 110710197
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367451
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367598

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide (CID 110367994) is N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide is Cc1cc(C)cc(N2CC(CNS(=O)(=O)Cc3ccccc3)OCC2=O)c1.
What is the InChIKey of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is IQJZOTVMCHFKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-8-16(2)10-18(9-15)22-12-19(26-13-20(22)23)11-21-27(24,25)14-17-6-4-3-5-7-17/h3-10,19,21H,11-14H2,1-2H3.
What are the key properties of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide?
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110367994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).