N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide

C15H22N2O5S — CID 110367596

IUPACN-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CN(c2ccc(OC)cc2)C(=O)CO1
InChIInChI=1S/C15H22N2O5S/c1-3-8-23(19,20)16-9-14-10-17(15(18)11-22-14)12-4-6-13(21-2)7-5-12/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeySDMUPABXALEPMM-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.76
Rot. Bonds7

About N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide

N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide (PubChem CID 110367596) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide
PubChem CID110367596
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CN(c2ccc(OC)cc2)C(=O)CO1
InChIInChI=1S/C15H22N2O5S/c1-3-8-23(19,20)16-9-14-10-17(15(18)11-22-14)12-4-6-13(21-2)7-5-12/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeySDMUPABXALEPMM-UHFFFAOYSA-N
XLogP0.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367598
4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367600
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide
CID 110710159
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919591
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
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367262
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110327938
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367451

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide (CID 110367596) is N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CN(c2ccc(OC)cc2)C(=O)CO1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is SDMUPABXALEPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-8-23(19,20)16-9-14-10-17(15(18)11-22-14)12-4-6-13(21-2)7-5-12/h4-7,14,16H,3,8-11H2,1-2H3.
What are the key properties of N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide?
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 110367596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).