2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide

C20H24N2O4S — CID 110367262

IUPAC2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)c3ccc(C)cc3C)OCC2=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-4-7-17(8-5-14)22-12-18(26-13-20(22)23)11-21-27(24,25)19-9-6-15(2)10-16(19)3/h4-10,18,21H,11-13H2,1-3H3
InChIKeyRYDNYZXJAWVTBA-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.32
Rot. Bonds5

About 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide

2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 110367262) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
PubChem CID110367262
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)c3ccc(C)cc3C)OCC2=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-4-7-17(8-5-14)22-12-18(26-13-20(22)23)11-21-27(24,25)19-9-6-15(2)10-16(19)3/h4-10,18,21H,11-13H2,1-3H3
InChIKeyRYDNYZXJAWVTBA-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzenesulfonamide
CID 110367909
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 40912201
1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
CID 110367052
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzenesulfonamide
CID 110367685
4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710175
1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367243
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367451
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367598
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 110367829
4-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710163
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide (CID 110367262) is 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide is Cc1ccc(N2CC(CNS(=O)(=O)c3ccc(C)cc3C)OCC2=O)cc1.
What is the InChIKey of 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is RYDNYZXJAWVTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-4-7-17(8-5-14)22-12-18(26-13-20(22)23)11-21-27(24,25)19-9-6-15(2)10-16(19)3/h4-10,18,21H,11-13H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110367262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).